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Receptor
PDB id Resolution Class Description Source Keywords
4ADC 2.3 Å EC: 2.6.1.81 STRUCTURAL AND FUNCTIONAL STUDY OF SUCCINYL-ORNITHINE TRANSAMINASE FROM E. COLI ESCHERICHIA COLI TRANSFERASE PLP ENZYMES AMINOTRANSFERASE
Ref.: DETERMINATION OF THE STRUCTURE OF THE CATABOLIC N-SUCCINYLORNITHINE TRANSAMINASE (ASTC) FROM ESCHERIC PLOS ONE V. 8 58298 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA C:1404;
B:1404;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
PLP D:1403;
B:1403;
A:1403;
C:1403;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
MG B:1999;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ADC 2.3 Å EC: 2.6.1.81 STRUCTURAL AND FUNCTIONAL STUDY OF SUCCINYL-ORNITHINE TRANSAMINASE FROM E. COLI ESCHERICHIA COLI TRANSFERASE PLP ENZYMES AMINOTRANSFERASE
Ref.: DETERMINATION OF THE STRUCTURE OF THE CATABOLIC N-SUCCINYLORNITHINE TRANSAMINASE (ASTC) FROM ESCHERIC PLOS ONE V. 8 58298 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ADD - PLP SUO n/a n/a
2 4ADC - PLP C8 H10 N O6 P Cc1c(c(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ADD - PLP SUO n/a n/a
2 4ADC - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ADD - PLP SUO n/a n/a
2 4ADC - 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 : 4ADC; Ligand: PLP; Similar sites found with APoc: 111
This union binding pocket(no: 1) in the query (biounit: 4adc.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZRR PXG 1.30208
2 5U23 TQP 1.3089
3 3AJM 4IP 1.40845
4 5W19 9TD 1.47783
5 1PMO PLR 1.72414
6 2G50 ALA 1.72414
7 6CD1 PLS 1.97044
8 6CD1 PLG 1.97044
9 1M32 PLP 2.18579
10 4A59 AMP 2.21675
11 3DR4 G4M 2.30179
12 1LW4 TLP 2.30548
13 1LW4 PLP 2.30548
14 1U26 IHS 2.37389
15 1E5F PLP 2.47525
16 1FDJ 13P 2.47934
17 4ZAH T5K 2.70936
18 3PD6 PMP 2.74314
19 3PDB PMP 2.74314
20 1FQK ALF 2.76923
21 3NUB UD0 2.78552
22 1WOG 16D 2.95082
23 6DND PLP 2.95567
24 2RI1 GLP 2.97872
25 2FYF PLP 3.01508
26 6EWR PMP 3.20197
27 5X30 4LM 3.26633
28 5X30 7XF 3.26633
29 4LNL 2BO 3.3033
30 4LNL 2BK 3.3033
31 4LNL PLG 3.3033
32 1VJO PLP 3.30789
33 4CNK MEU 3.32481
34 2X1E X1E 3.36134
35 2IZ1 ATR 3.44828
36 5W71 9YM 3.69458
37 5W71 PLP 3.69458
38 2WK9 PLG 3.85604
39 2WK9 PLP 3.85604
40 1U08 PLP 3.88601
41 4HVK PMP 3.9267
42 2Z9V PXM 4.08163
43 1GJW GLC 4.18719
44 4WXG 2BO 4.18719
45 6CZY PMP 4.41989
46 3VP6 HLD 4.6798
47 4YMZ 13P 4.78088
48 1SW0 PGA 4.83871
49 1Q11 TYE 4.83871
50 2OGA PGU 5.26316
51 5GVL PLG 5.66502
52 5GVL GI8 5.66502
53 1TE2 PGA 5.75221
54 1DFO PLG 5.7554
55 1ONI BEZ 5.7971
56 5W70 9YM 6.15764
57 3VPD CIT 6.40569
58 5K8B PDG 6.45161
59 1H5S TMP 6.48464
60 2HHP FLC 6.65025
61 1T0S BML 6.89655
62 2F9W PAU 6.89655
63 3DRW AMP 7.38916
64 1FC4 AKB PLP 7.73067
65 5ZZO FLC 7.9602
66 2FNU PMP UD1 8.26667
67 3I53 SAH 8.73494
68 1WQ1 AF3 9.58084
69 4K2M O1G 9.85222
70 3WGC PLG 9.97067
71 3B8X G4M 11.5385
72 4LWM MHO 12.4424
73 5ZI9 FLC 12.6923
74 1WYV PLP AOA 12.8079
75 4M2K PLP 13.0542
76 1DJ9 KAM 13.5417
77 1JQY A32 13.5922
78 1O69 X04 13.9594
79 5VEQ PMP 15.7635
80 5TXR PLP 16.9951
81 3FRK TQP 21.4477
82 5DDW 5B6 26.1084
83 5YKT PMP 26.601
84 6CBO DOW 30.5239
85 6CBN OZY 33.3333
86 1MLY ACZ PLP 34.7291
87 4ZM4 P3B 35.468
88 4ZM4 PLP 35.468
89 5KGS 6SR 35.7143
90 3FQ8 PMP 35.9606
91 4AOA IK2 37.931
92 3BS8 PMP 40.6404
93 2YKX AKG 40.6404
94 4ZSY RW2 40.8867
95 2CJH AKG 40.8867
96 5G09 6DF 44.5813
97 4B98 PXG 44.8276
98 4E3Q PMP 45.0739
99 4UHO PLP 45.5665
100 5WYF ILP 46.0591
101 2OAT PFM 46.3054
102 5G4J EXT 46.5517
103 4BA5 PXG 47.0443
104 3DU4 KAP 47.5369
105 3A8U PLP 48.0296
106 4UOX PUT 48.5222
107 4UOX PLP PUT 48.5222
108 4UOX PLP 48.5222
109 1SFF IK2 49.0148
110 3DXW ICC 49.0148
111 1ZC9 PMP 49.7537
Pocket No.: 2; Query (leader) PDB : 4ADC; Ligand: PLP; Similar sites found with APoc: 12
This union binding pocket(no: 2) in the query (biounit: 4adc.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 6F8N NAG NAG 1.47783
2 1FDJ 2FP 2.47934
3 5X7Q GLC GLC 3.20197
4 3K6V CIT 3.67232
5 5NM7 GLY 4.13534
6 2YPI PGA 4.45344
7 1Y7I SAL 4.47761
8 2UVO NAG 4.67836
9 4BI7 PGA 5.05837
10 4IJ6 SEP 9.00474
11 1TRD PGH 9.2
12 1H8P PC 13.7615
Pocket No.: 3; Query (leader) PDB : 4ADC; Ligand: PLP; Similar sites found with APoc: 58
This union binding pocket(no: 3) in the query (biounit: 4adc.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4IYO 0JO 1.51134
2 4IY7 0JO 1.51134
3 4IY7 KOU 1.51134
4 2IID FAD 1.72414
5 2IID PHE 1.72414
6 1JS3 PLP 142 1.72414
7 5M3Z PY6 1.75879
8 5M3Z NLE 1.75879
9 5M3Z PLP 1.75879
10 2HXW FLC 2.1097
11 2C77 GNP 2.22222
12 2HJR APR 2.43902
13 1A5Z NAD 2.50784
14 2X6T NAP 2.52101
15 5MDH NAD 2.7027
16 5NUE NAD 2.71084
17 5NUF NAD 2.71084
18 1OXO IK2 2.74314
19 3WXM GTP 2.95567
20 3VMF GTP 2.95567
21 2GZ3 NAP 3.00546
22 1UPA TPP 3.14136
23 5X2Z 3LM 3.26633
24 4CE5 PDG 3.3033
25 3FV1 DYH 3.51562
26 3TKL GTP 3.57143
27 4PLT NAI 3.62538
28 4X28 FDA 4.02145
29 1LDN NAD 4.11392
30 3OVR 5SP 4.38596
31 2CZL TLA 4.41176
32 6F5W KG1 4.60705
33 4UUG PXG 4.81928
34 6ER9 NAP 4.92611
35 6F97 FAD 4.92611
36 1B9I PXG 5.15464
37 5UQW GDP 5.29101
38 1M5B BN1 5.70342
39 5EIN NAP 5.81395
40 6ECG PM9 5.91133
41 1U8Z GDP 5.95238
42 2R5C C6P 6.15764
43 2R5E QLP 6.15764
44 5LXT GTP 6.29371
45 4EI7 GDP 6.40394
46 1MDZ PLP 6.61578
47 1MDZ DCS 6.61578
48 6BCB GSP 8.10811
49 6BC0 GSP 8.10811
50 1TX4 ALF GDP 8.47458
51 1UYY BGC BGC 9.16031
52 1CXZ GSP 10.4651
53 6BCA GSP 11.2583
54 5Z2M GTP 11.9318
55 3QBT GNP 12.069
56 4BNU 9KQ 12.2677
57 2EFE GNH 12.7072
58 1GCK ASP PLP 24.6753
Pocket No.: 4; Query (leader) PDB : 4ADC; Ligand: PLP; Similar sites found with APoc: 20
This union binding pocket(no: 4) in the query (biounit: 4adc.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2I3G NAP 1.98864
2 2C78 GNP 2.22222
3 1CL2 PPG 2.53165
4 4MDH NAD 2.69461
5 1H74 ADP 2.7027
6 1AJS PLA 2.95567
7 4IOK XPO 3.20197
8 1K4M CIT 3.28639
9 1K1Y MAL 3.69458
10 6CEP OXM 3.89222
11 6CEP NAD 3.89222
12 6BKA FMN 4.27807
13 3T12 GDP ALF 4.41176
14 4RSL FAD 4.4335
15 1SQL GUN 6.16438
16 1XVB BHL 8.82353
17 3BF1 PAU 8.83534
18 4YNU LGC 10.8374
19 4YNU FAD 10.8374
20 4ZG4 VO4 ADP 11.8227
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