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Receptor
PDB id Resolution Class Description Source Keywords
1XI9 2.33 Å EC: 2.-.-.- ALANINE AMINOTRANSFERASE FROM PYROCOCCUS FURIOSUS PFU-139707 PYROCOCCUS FURIOSUS ALANINE AMINOTRANSFERASE PYROCOCCUS FURIOSUS SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS SECSG HYPERTHERMOPHPROTEIN STRUCTURE INITIATIVE PSI TRANSFERASE
Ref.: ALANINE AMINOTRANSFERASE FROM PYROCOCCUS FURIOSUS PFU-1397077-001 TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP A:501;
B:501;
C:501;
D:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XI9 2.33 Å EC: 2.-.-.- ALANINE AMINOTRANSFERASE FROM PYROCOCCUS FURIOSUS PFU-139707 PYROCOCCUS FURIOSUS ALANINE AMINOTRANSFERASE PYROCOCCUS FURIOSUS SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS SECSG HYPERTHERMOPHPROTEIN STRUCTURE INITIATIVE PSI TRANSFERASE
Ref.: ALANINE AMINOTRANSFERASE FROM PYROCOCCUS FURIOSUS PFU-1397077-001 TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 1XI9 - PLP C8 H10 N O6 P Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 1XI9 - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GDE - GLU PLP n/a n/a
2 1V2F - HCI C9 H10 O2 c1ccc(cc1)....
3 1U08 - PLP C8 H10 N O6 P Cc1c(c(c(c....
4 1GCK - ASP PLP n/a n/a
5 1XI9 - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLP; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP 1 1
2 PZP 0.729167 0.843137
3 EXT 0.62069 0.8
4 AN7 0.603448 0.918367
5 EPC 0.603448 0.862745
6 FOO 0.59322 0.849057
7 PLR 0.58 0.895833
8 4LM 0.57377 0.818182
9 0JO 0.57377 0.803571
10 P3D 0.571429 0.704918
11 F0G 0.564516 0.865385
12 MPM 0.564516 0.814815
13 FEV 0.555556 0.803571
14 KOU 0.555556 0.836364
15 HCP 0.546875 0.77193
16 EVM 0.546875 0.821429
17 6DF 0.545455 0.811321
18 PXL 0.541667 0.659574
19 Z98 0.537313 0.75
20 PXP 0.537037 0.862745
21 PMP 0.527273 0.767857
22 P0P 0.527273 0.916667
23 PL6 0.522388 0.818182
24 GT1 0.517857 0.830189
25 PFM 0.514706 0.803571
26 FEJ 0.514706 0.851852
27 LLP 0.5 0.737705
28 P70 0.5 0.833333
29 PUS 0.479452 0.707692
30 PL5 0.479452 0.775862
31 MPL 0.473684 0.836364
32 PLG 0.46875 0.75
33 IN5 0.46875 0.758621
34 P89 0.466667 0.714286
35 PLP PUT 0.463768 0.672131
36 EQJ 0.460526 0.725806
37 5DK 0.460526 0.725806
38 O1G 0.454545 0.75
39 PLT 0.439024 0.762712
40 X04 0.431034 0.851852
41 PDD 0.426471 0.762712
42 PP3 0.426471 0.762712
43 PDA 0.426471 0.762712
44 P1T 0.426471 0.714286
45 33P 0.42029 0.745763
46 IK2 0.42029 0.714286
47 TLP 0.414286 0.793103
48 2BK 0.414286 0.793103
49 PLS 0.414286 0.779661
50 2BO 0.414286 0.793103
51 5PA 0.414286 0.714286
52 PMH 0.414286 0.619718
53 9TD 0.413793 0.671642
54 PLP 999 0.410959 0.796296
55 PPD 0.408451 0.75
56 C6P 0.408451 0.75
57 QLP 0.405405 0.681818
58 MP5 0.403509 0.666667
59 PLA 0.402778 0.703125
60 PY5 0.402778 0.703125
61 HEY 0.4 0.703125
62 PLP PHE 0.4 0.732143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found with APoc: 111
This union binding pocket(no: 1) in the query (biounit: 1xi9.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3OTH CLJ 1.72414
2 4B98 PXG 1.72414
3 3A8U PLP 1.72414
4 2WK9 PLG 2.05656
5 2WK9 PLP 2.05656
6 6CZY PMP 2.20994
7 2EAE FUL 2.21675
8 5IWQ PLP 2.46305
9 6ECG PM9 2.46305
10 2TPL HPP 2.46305
11 1YAA MAE 2.46305
12 1FC4 AKB PLP 2.49377
13 4AZJ SEP PLP 2.77778
14 4E1O PLP PVH 2.95567
15 5TXR PLP 2.95567
16 4ZUL UN1 2.95567
17 1DJ9 KAM 3.125
18 1JS3 PLP 142 3.20197
19 3ZRR PXG 3.44828
20 3VP6 HLD 3.69458
21 2Z9V PXM 4.08163
22 5FP3 3JI 4.18719
23 1E5F PLP 4.20792
24 5YKT PMP 4.4335
25 4AZ6 OAN 4.92611
26 3O75 F1X 5.14706
27 5O0J 8BR 5.41872
28 2WA4 069 5.44413
29 5M3Z PY6 5.52764
30 5M3Z NLE 5.52764
31 5M3Z PLP 5.52764
32 2FYF PLP 5.52764
33 4XIZ LPP 5.88235
34 5AE9 OKO 6.15764
35 1KOJ PAN 6.40394
36 4LNL 2BK 6.60661
37 4LNL 2BO 6.60661
38 4LNL PLG 6.60661
39 2XBN PMP 6.65025
40 1TOI HCI 6.81818
41 6C3C EJ1 6.89655
42 5W19 9TD 7.14286
43 4CYI ATP 7.14286
44 1H16 PYR 7.88177
45 1DFO PLG 7.88177
46 6C92 EQJ 7.97872
47 6C8T EQJ 7.97872
48 6C9B EGV 7.97872
49 3U2U UDP 7.98479
50 2E2R 2OH 8.19672
51 6CD1 PLG 8.37438
52 6CD1 PLS 8.37438
53 1CL2 PPG 8.60759
54 5IKH 6BW 8.62069
55 4RKC PMP 9.04523
56 4ZSY RW2 9.1133
57 6DND PLP 9.35961
58 2GUE NAG 9.83607
59 2HYQ MAN MAN 9.83607
60 2GUC MAN 9.83607
61 2NU5 NAG 9.83607
62 2NUO BGC 9.83607
63 2GUD MAN 9.83607
64 2GUD BMA 9.83607
65 5X2Z 3LM 10.5528
66 5X30 7XF 10.5528
67 5X30 4LM 10.5528
68 1DB1 VDX 10.8108
69 3WGC PLG 11.8227
70 5W71 9YM 12.3153
71 5W71 PLP 12.3153
72 5K8B PDG 13.5468
73 3FRK TQP 13.941
74 4K2M O1G 14.2857
75 3DR4 G4M 14.578
76 4WVW SLT 14.5833
77 4IYO 0JO 14.8615
78 4IY7 0JO 14.8615
79 4IY7 KOU 14.8615
80 4ZAH T5K 14.899
81 2AY3 MPP 14.9746
82 5W70 9YM 15.0246
83 6EWR PMP 17.9803
84 1AJS PLA 20.4433
85 2HOX P1T 22.1675
86 2R2N PMP 22.6601
87 2R2N KYN 22.6601
88 5T4J PLP ABU 23.2877
89 1OXO IK2 24.6883
90 1LC8 33P 26.0989
91 4JE5 PLP 27.0936
92 4JE5 PMP 27.0936
93 4R5Z SIN 27.5204
94 4R5Z PMP 27.5204
95 2PO3 T4K 28.5377
96 3PD6 PMP 29.4264
97 3PDB PMP 29.4264
98 3PD6 KYN 29.4264
99 3CQ5 PMP 30.8943
100 1UU1 PMP HSA 31.6418
101 2R5C C6P 32.634
102 2R5E QLP 32.634
103 2ZYJ PGU 35.0126
104 1GEX PLP HSA 35.1124
105 5VEQ PMP 35.468
106 1M7Y PPG 36.6995
107 1LW4 TLP 39.7695
108 1LW4 PLP 39.7695
109 4FL0 PLP 41.3793
110 3EI9 PL6 41.6256
111 2ZC0 PMP 46.798
Pocket No.: 2; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found with APoc: 27
This union binding pocket(no: 2) in the query (biounit: 1xi9.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4UWH JXM 1.47783
2 6FUL E7Z 1.47783
3 2WYA HMG 2.46305
4 2O2C G6Q 2.95567
5 1XPM CAA 3.0303
6 5A7V MAN 3.09278
7 4NJH 2K8 3.47826
8 4NJH SAM 3.47826
9 1RM0 D6P 3.69458
10 1RM0 NAI 3.69458
11 6F6D AKG 4.18719
12 6AM8 PLT 4.29293
13 5ML3 DL3 5.36913
14 3H4V NAP 6.25
15 3H4V DVP 6.25
16 3EPO MP5 6.89655
17 1GTE IUR 7.38916
18 1GTE FMN 7.38916
19 5DXT 5H5 7.38916
20 1N5S ADL 9.82143
21 2HYR BGC GLC 9.83607
22 5WKC AUJ 10.0985
23 1YNH SUO 10.5911
24 1II5 GLU 11.588
25 2QZT PLM 13.5135
26 2QLX RM4 22.2222
27 3FVU IAC 38.9163
Pocket No.: 3; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 1xi9.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5WYF ILP 5.91133
2 6FLZ MMA 10.4167
Pocket No.: 4; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found with APoc: 5
This union binding pocket(no: 4) in the query (biounit: 1xi9.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4YHB FAD 3.2967
2 6C28 WCA 3.76344
3 4EKQ NPO 5.34759
4 5XFV FMN 7.38916
5 3A8H TAY 8.21256
Pocket No.: 5; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1xi9.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1xi9.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1xi9.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1xi9.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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