MDB Schema

Generated on 2008-05-09 19:20:19 (PST)

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Schema for database: metallodb (22 tables)

[ het_list ] [ homologs ] [ hydrogen_bonds ] [ ligand ] [ ligand_pattern ] [ lml_angles ] [ metal_centers ] [ ml_bonds ] [ msit_general ] [ msit_sites ] [ pdbinfo ] [ pdbselect ] [ protein ] [ qm_atom ] [ qm_model ] [ site ] [ site_ligsymbol_count ] [ site_residues ] [ siteligands_count ] [ sites_shells_patterns ] [ torsions ] [ whatif_select ]

Table: het_list (8 fields)
Field Type Null Key Default Extra
id varchar(5)   PRI    
name text        
type varchar(100)   MUL    
formula varchar(100)        
ndb_synonyms text YES      
ndb_formal_charge varchar(4)        
rcsb_class_1 varchar(100)        
updated timestamp(14) YES      
Number of records: 2052
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Table: homologs (11 fields)
Field Type Null Key Default Extra
threshold int(10) unsigned YES      
pdb1 char(4)   MUL    
chain1 char(1)        
id1 char(5)   PRI    
pdb2 char(4)   MUL    
chain2 char(1)        
id2 char(5)   PRI    
identity float(10,2)   MUL 0.00  
align_len int(10) unsigned        
abagayan_dist float(10,2) YES      
rel_date date YES      
Number of records: 22196
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Table: hydrogen_bonds (12 fields)
Field Type Null Key Default Extra
source_id varchar(4)        
site_id varchar(9)        
donor_atom_name varchar(4)        
donor_res_name varchar(4)        
donor_res_seq int(10) unsigned        
donor_res_chain char(1)        
acceptor_atom_name varchar(4)        
acceptor_res_name varchar(4)        
acceptor_res_seq int(10) unsigned        
acceptor_res_chain char(1)        
bond_distance double        
type char(3)        
Number of records: 31776
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Table: ligand (11 fields)
Field Type Null Key Default Extra
source_id varchar(20)   MUL    
site_id varchar(20)   MUL    
metal char(2)   MUL    
lig_type char(1)   MUL    
lig_chain char(1)        
lig_symbol varchar(4)   MUL    
lig_seq varchar(4)        
lig_atom varchar(4)   MUL    
metal_lig_dist float(10,2) YES      
public char(1)   MUL    
analysis_date date   MUL 0000-00-00  
Number of records: 159204
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Table: ligand_pattern (12 fields)
Field Type Null Key Default Extra
source varchar(20)   MUL    
source_id varchar(20)   MUL    
site_id varchar(20)   PRI    
metal char(2)   MUL    
num_ligands tinyint(3) unsigned   MUL    
lig_pattern varchar(150)   MUL    
type_pattern varchar(70)   MUL    
m_l_distances text        
atom_pattern varchar(150)   MUL    
public char(1)        
analysis_date date     0000-00-00  
full_lig_pattern text        
Number of records: 32099
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Table: lml_angles (19 fields)
Field Type Null Key Default Extra
source_id varchar(4)   MUL site  
site_id varchar(9)   MUL    
lig1_atom_name varchar(4)   MUL    
lig1_res_name varchar(4)   MUL lig_  
lig1_res_seq int(10) unsigned   MUL    
lig1_res_chain char(1)   MUL    
metal_atom_name varchar(4)   MUL    
metal_res_name varchar(4)   MUL    
metal_res_seq int(10) unsigned   MUL    
metal_res_chain char(1)   MUL    
lig2_atom_name varchar(4)   MUL    
lig2_res_name varchar(4)   MUL    
lig2_res_seq int(10) unsigned   MUL    
lig2_res_chain char(1)   MUL    
angle double   MUL    
metal_lig1_dist double   MUL    
metal_lig2_dist double   MUL    
lig1_lig2_dist double   MUL    
angle_type varchar(25)   MUL    
Number of records: 14994
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Table: metal_centers (8 fields)
Field Type Null Key Default Extra
source_id varchar(4)   MUL    
site_id varchar(9)        
center_number int(10) unsigned        
res_name varchar(6)        
res_seq int(10) unsigned        
res_chain char(1)        
geometry varchar(25)        
type varchar(50)        
Number of records: 2882
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Table: ml_bonds (12 fields)
Field Type Null Key Default Extra
source_id varchar(4)   MUL    
site_id varchar(9)   MUL    
metal_atom_name varchar(4)   MUL    
metal_res_name varchar(4)   MUL    
metal_res_seq int(10) unsigned   MUL    
metal_res_chain char(1)   MUL    
ligand_atom_name varchar(4)   MUL    
ligand_res_name varchar(4)   MUL    
ligand_res_seq int(11)   MUL    
ligand_res_chain char(1)   MUL    
bond_distance double   MUL    
type varchar(20)   MUL    
Number of records: 5669
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Table: msit_general (10 fields)
Field Type Null Key Default Extra
source_id varchar(4)   MUL    
site_id varchar(9)   PRI    
num_metal_centers int(10) unsigned        
num_first_shell_res int(10) unsigned        
num_ml_bonds int(10) unsigned        
num_lml_angles int(10) unsigned        
num_first_shell_hbonds int(10) unsigned        
num_second_shell_res int(10) unsigned        
num_second_shell_hbonds int(10) unsigned        
num_intershell_hbonds int(10) unsigned        
Number of records: 1000
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Table: msit_sites (4 fields)
Field Type Null Key Default Extra
pdb varchar(4)        
site_id varchar(20)   PRI    
filename varchar(80)        
updated timestamp(14) YES      
Number of records: 15962
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Table: pdbinfo (20 fields)
Field Type Null Key Default Extra
pdb varchar(4)   PRI    
element text YES      
depdate timestamp(8) YES MUL    
hetatm text YES      
expdta varchar(40)   MUL    
atoms text YES      
author text        
keywds text YES      
cryst1 varchar(100) YES      
title varchar(100) YES      
source text YES      
revdate timestamp(8) YES MUL    
chain varchar(50) YES      
ec varchar(50) YES      
rvalue float(10,2) YES      
compnd text YES      
header varchar(100) YES      
resolution float(10,2) YES      
counts varchar(120) YES      
caveat varchar(255) YES      
Number of records: 16146
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Table: pdbselect (15 fields)
Field Type Null Key Default Extra
threshold int(10) unsigned   PRI    
id varchar(5)   PRI    
pdb varchar(4)   MUL    
chain char(1)        
num_aa int(10) unsigned        
resolution double(16,4) unsigned YES      
rfactor double(16,4) unsigned YES      
method varchar(8)   PRI    
n_sidechain int(10) unsigned YES      
n_backbone int(10) unsigned YES      
n_nonaa int(10) unsigned YES      
n_helix int(10) unsigned        
n_beta int(10) unsigned YES      
compound text        
rel_date date     0000-00-00  
Number of records: 7155
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Table: protein (11 fields)
Field Type Null Key Default Extra
source varchar(20)   MUL    
source_id varchar(20)   PRI    
rev_date date   MUL 0000-00-00  
dep_date date   MUL 0000-00-00  
expdata varchar(60)   MUL unkown  
r_value float(10,2) YES      
resolution float(10,2) YES      
description text YES      
authors text YES      
public char(1)   MUL    
analysis_date date   MUL 0000-00-00  
Number of records: 8069
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Table: qm_atom (12 fields)
Field Type Null Key Default Extra
qm_model_id varchar(10)   MUL    
atomnum int(11) unsigned        
element varchar(8)   MUL    
atomint int(10) unsigned        
restype varchar(8)   MUL    
resnum int(11) unsigned        
x float        
y float        
z float        
charge float        
vdW_radius float        
updated timestamp(14) YES      
Number of records: 251
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Table: qm_model (4 fields)
Field Type Null Key Default Extra
qm_model_id varchar(10)   PRI    
pdb varchar(4) YES MUL    
comments text        
updated timestamp(14) YES      
Number of records: 4
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Table: site (19 fields)
Field Type Null Key Default Extra
source_id varchar(20)   MUL    
site_id varchar(20)   PRI    
metal char(2)   MUL    
metal_chain char(1) YES      
geometry varchar(20) YES      
num_ligands tinyint(4)   MUL    
nlig_protein tinyint(4) YES      
nlig_nucleic tinyint(4) YES      
nlig_metal tinyint(4) YES      
nlig_water tinyint(4) YES      
nlig_anion tinyint(4) YES      
nlig_hetero tinyint(4) YES      
apo_site char(1)   MUL    
repr_phom char(1)   MUL    
repr_lhom char(1)   MUL    
repr_mdl char(1)   MUL    
repr_chn char(1)   MUL    
public char(1)   MUL    
analysis_date date   MUL 0000-00-00  
Number of records: 32099
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Table: site_ligsymbol_count (9 fields)
Field Type Null Key Default Extra
source varchar(20)   MUL    
source_id varchar(20)   MUL    
site_id varchar(20)   MUL    
metal char(2)   MUL    
num_ligands tinyint(3) unsigned   MUL    
lig_symbol varchar(5)   MUL    
lig_count int(10) unsigned   MUL    
public char(1)        
analysis_date date     0000-00-00  
Number of records: 51226
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Table: site_residues (7 fields)
Field Type Null Key Default Extra
source_id varchar(4)   MUL    
site_id varchar(9)   MUL    
res_name varchar(8)   MUL    
res_seq int(10) unsigned   MUL    
res_chain char(1)   MUL    
denticity int(11)   MUL -1  
shell int(10) unsigned   MUL    
Number of records: 29328
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Table: siteligands_count (33 fields)
Field Type Null Key Default Extra
source varchar(20)        
source_id varchar(20)        
site_id varchar(20)   PRI    
metal char(2)   MUL    
num_ligands tinyint(3) unsigned   MUL    
ala int(10) unsigned   MUL    
arg int(10) unsigned   MUL    
asn int(10) unsigned   MUL    
asp int(10) unsigned   MUL    
cys int(10) unsigned   MUL    
gln int(10) unsigned   MUL    
glu int(10) unsigned   MUL    
gly int(10) unsigned   MUL    
his int(10) unsigned   MUL    
ile int(10) unsigned   MUL    
leu int(10) unsigned   MUL    
lys int(10) unsigned   MUL    
met int(10) unsigned   MUL    
phe int(10) unsigned   MUL    
pro int(10) unsigned   MUL    
ser int(10) unsigned   MUL    
thr int(10) unsigned   MUL    
trp int(10) unsigned   MUL    
tyr int(10) unsigned   MUL    
val int(10) unsigned   MUL    
aspasn int(10) unsigned   MUL    
aspglu int(10) unsigned   MUL    
glugln int(10) unsigned   MUL    
nuc_acids int(10) unsigned   MUL    
water int(10) unsigned   MUL    
others int(10) unsigned   MUL    
public char(1)        
analysis_date date     0000-00-00  
Number of records: 23351
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Table: sites_shells_patterns (10 fields)
Field Type Null Key Default Extra
source_id varchar(5)        
site_id varchar(10)   PRI    
first_shell text        
first_shell_full text        
second_shell text        
second_shell_full text        
num_first_shell_ligands int(10) unsigned        
num_second_shell_ligands int(10) unsigned        
public char(1) YES   y  
analysis_date date     0000-00-00  
Number of records: 15963
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Table: torsions (11 fields)
Field Type Null Key Default Extra
source_id varchar(5)   PRI    
name varchar(5)   PRI    
seq int(10) unsigned   PRI    
chain char(2)   PRI _  
psi double(16,4) YES      
phi float(10,2) YES      
chi1 float(10,2) YES      
chi2 float(10,2) YES      
chi3 float(10,2) YES      
chi4 float(10,2) YES      
updated timestamp(14) YES      
Number of records: 122511
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Table: whatif_select (7 fields)
Field Type Null Key Default Extra
indentity int(10) unsigned YES      
resthrshld double(16,4)   PRI 0.0000  
rfacthrshld double(16,4)   PRI 0.0000  
id varchar(5)   PRI    
pdb varchar(4)   MUL    
chain char(1)     _  
rel_date date     0000-00-00  
Number of records: 4421
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