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Showing PDB: 2CHT
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Receptor
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Structure Biounit | Ligand Information
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Class :
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Receptor
PDB id
Resolution
Class
Description
Source
Keywords
2CHT
2.2 Å
EC:
5.4.99.5
CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE MUTASE FROM BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANSITION S TATE ANALOG
BACILLUS SUBTILIS
ISOMERASE
Ref.:
CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE MUTASE FROM BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANSITION STATE ANALOG. PROC.NATL.ACAD.SCI.USA V. 90 8600 1993
Ligand
Ligand
Chain:Residue
Validity
Ligand Warnings
Binding Data
NGL Viewer
Molecular Weight (Da)
Formula
SMILES
TSA
A:203;
B:201;
C:202;
D:206;
E:204;
F:205;
G:209;
H:207;
I:208;
J:212;
K:210;
L:211;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Ki = 3 uM
228.199
C10 H12 O6
C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id
Resolution
Class
Description
Source
Keywords
2CHT
2.2 Å
EC:
5.4.99.5
CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE MUTASE FROM BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANSITION S TATE ANALOG
BACILLUS SUBTILIS
ISOMERASE
Ref.:
CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE MUTASE FROM BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANSITION STATE ANALOG. PROC.NATL.ACAD.SCI.USA V. 90 8600 1993
Members (4)
No:
PDB id
Binding Data
Representative ligand
Formula
Smiles
The
Class
containing this family consists of a total of
7
families.
1
3ZP4
-
TSA
C10 H12 O6
C1[C@@H]2[....
2
1COM
-
PRE
C10 H10 O6
C1=CC(C=CC....
3
3ZP7
-
ISJ
C10 H10 O6
C=C(C(=O)O....
4
2CHT
Ki = 3 uM
TSA
C10 H12 O6
C1[C@@H]2[....
70% Homology Family (4)
No:
PDB id
Binding Data
Representative ligand
Formula
Smiles
The
Class
containing this family consists of a total of
7
families.
1
3ZP4
-
TSA
C10 H12 O6
C1[C@@H]2[....
2
1COM
-
PRE
C10 H10 O6
C1=CC(C=CC....
3
3ZP7
-
ISJ
C10 H10 O6
C=C(C(=O)O....
4
2CHT
Ki = 3 uM
TSA
C10 H12 O6
C1[C@@H]2[....
50% Homology Family (5)
No:
PDB id
Binding Data
Representative ligand
Formula
Smiles
The
Class
containing this family consists of a total of
5
families.
1
3ZP4
-
TSA
C10 H12 O6
C1[C@@H]2[....
2
1COM
-
PRE
C10 H10 O6
C1=CC(C=CC....
3
3ZP7
-
ISJ
C10 H10 O6
C=C(C(=O)O....
4
2CHT
Ki = 3 uM
TSA
C10 H12 O6
C1[C@@H]2[....
5
1UFY
-
MLI
C3 H2 O4
C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TSA; Similar ligands found: 1
No:
Ligand
ECFP6 Tc
MDL keys Tc
1
TSA
1
1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: 35
This union binding pocket(no: 1) in the query (biounit: 2cht.bio5) has
14 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
1
4JE7
BB2
0.008955
0.42335
None
2
3F9W
SAH
0.01816
0.41424
None
3
4KVX
ACO
0.02496
0.40985
None
4
4WB6
ATP
0.03425
0.40256
None
5
4DR9
BB2
0.01882
0.4031
2.3622
6
1YKJ
PHB
0.04647
0.42428
3.93701
7
1YKJ
FAD
0.04647
0.42428
3.93701
8
5K2M
ADP
0.01136
0.42486
4.72441
9
4PYW
ACE THR THR ALA ILE NH2
0.02332
0.40856
4.72441
10
5BYZ
4WE
0.03474
0.40721
4.72441
11
4V24
GYR
0.02505
0.40837
5.51181
12
2FQX
GMP
0.01713
0.40517
5.51181
13
1O97
FAD
0.04318
0.42246
6.29921
14
1O97
AMP
0.04318
0.42246
6.29921
15
1DJN
FMN
0.02398
0.40792
6.29921
16
1TKB
N1T
0.03297
0.41283
7.08661
17
2NYR
SVR
0.02528
0.4109
7.87402
18
3SXN
COA
0.02406
0.40476
8.66142
19
1VPD
TLA
0.01525
0.40392
8.66142
20
5XDT
MB3
0.02649
0.41695
9.44882
21
4BMO
FMN
0.02063
0.41421
9.44882
22
5EXE
5SR
0.04157
0.403
9.44882
23
5L0U
660
0.01837
0.41687
11.0236
24
5L0S
UDP
0.0193
0.40805
11.0236
25
3KC1
2T6
0.01823
0.40758
11.0236
26
3B6R
CRN
0.003981
0.44057
11.811
27
1GR0
NAD
0.04992
0.40295
11.811
28
5K04
COA
0.01806
0.41282
13.3858
29
4RDN
6MD
0.005045
0.4109
13.3858
30
2PHN
GDP
0.0235
0.40838
14.9606
31
2YAB
AMP
0.02023
0.40526
14.9606
32
3BIY
01K
0.01018
0.42734
15.748
33
2ZCQ
B65
0.03221
0.42085
16.5354
34
5M5G
SAH
0.02114
0.40428
23.622
35
5VA6
SAH
0.01972
0.40005
27.7778
Pocket No.: 2; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2cht.bio5) has
13 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2cht.bio5) has
13 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: 21
This union binding pocket(no: 4) in the query (biounit: 2cht.bio2) has
14 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
1
4CNE
SAH
0.01486
0.41212
None
2
4P5E
N6P
0.0199
0.40903
None
3
2IMF
GSH
0.02492
0.40849
None
4
5VAH
SAH
0.0172
0.40304
None
5
3MMH
SME
0.008157
0.41462
1.5748
6
3N71
SFG
0.006859
0.41833
2.3622
7
2R3A
SAM
0.02147
0.40211
2.3622
8
5HQ8
SAH
0.01913
0.40071
2.3622
9
5B4B
LP5
0.04078
0.40228
3.14961
10
1KPH
SAH
0.0262
0.4044
3.93701
11
1HG4
LPP
0.03828
0.4013
5.51181
12
4P6X
HCY
0.04337
0.40423
6.29921
13
1Z3C
SA8
0.04529
0.40099
6.29921
14
4M73
M72
0.03785
0.41251
7.08661
15
1Q9I
TEO
0.0377
0.4265
7.87402
16
4PNE
SAH
0.01753
0.41504
7.87402
17
2QTZ
NAP
0.03852
0.41014
7.87402
18
1YP4
ADP
0.01709
0.40716
7.87402
19
2QTZ
FAD
0.01819
0.40578
7.87402
20
4KRI
SAH
0.02427
0.40456
9.44882
21
1V2X
SAM
0.006612
0.43193
19.0722
Pocket No.: 5; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2cht.bio2) has
11 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2cht.bio2) has
13 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2cht.bio4) has
12 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2cht.bio4) has
6 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: 9
This union binding pocket(no: 9) in the query (biounit: 2cht.bio4) has
14 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
1
1RQ2
CIT
0.01852
0.41224
3.14961
2
3OH3
UAD
0.03327
0.40323
3.14961
3
5LKT
BCO
0.01507
0.41847
5.51181
4
2C42
PYR
0.04256
0.40245
5.51181
5
2C42
TPP
0.04256
0.40245
5.51181
6
1O94
AMP
0.01998
0.40553
6.29921
7
1R6D
NAD
0.04431
0.4205
7.08661
8
4CYI
ATP
0.02689
0.40225
22.8346
9
4U7W
NDP
0.02751
0.41023
24.4094
Pocket No.: 10; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2cht.bio4) has
14 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 2cht.bio1) has
14 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 2cht.bio1) has
13 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 2cht.bio1) has
13 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 2cht.bio1) has
14 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: 9
This union binding pocket(no: 15) in the query (biounit: 2cht.bio3) has
14 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
1
4HMT
NNV
0.01159
0.4288
None
2
4HMT
FMN
0.01089
0.4288
None
3
3S5Y
DGJ
0.01295
0.40703
None
4
2WET
FAD
0.02804
0.42334
3.14961
5
4BJ8
BTN
0.01483
0.40834
3.1746
6
3L9W
AMP
0.04755
0.40096
3.93701
7
5JKG
6LF
0.04951
0.4051
5.51181
8
4EUE
NAI
0.03273
0.41088
8.66142
9
5E72
SAM
0.02337
0.40699
10.2362
Pocket No.: 16; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 2cht.bio3) has
13 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 2cht.bio3) has
14 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 2cht.bio3) has
13 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
|
