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Receptor
PDB id Resolution Class Description Source Keywords
2FYF 1.5 Å EC: 2.6.1.52 STRUCTURE OF A PUTATIVE PHOSPHOSERINE AMINOTRANSFERASE FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS PLP-DEPENDENT ENZYME DIMER STRUCTURAL GENOMICS MYCOBACTERTUBERCULOSIS STRUCTURAL PROTEOMICS PROJECT XMTB TRANSFERA
Ref.: STRUCTURE OF PHOSPHOSERINE AMINOTRANSFERASE FROM MYCOBACTERIUM TUBERCULOSIS. ACTA CRYSTALLOGR.,SECT.D V. 68 553 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1388;
A:1389;
A:1390;
B:2393;
B:2394;
B:2395;
B:2396;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PC4 A:1378;
A:1382;
B:2378;
B:2383;
B:2386;
B:2391;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
336.89 Cl4 Pt Cl[Pt...
PLP A:1377;
B:2377;
Valid;
Valid;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
SO4 A:2392;
B:1387;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FYF 1.5 Å EC: 2.6.1.52 STRUCTURE OF A PUTATIVE PHOSPHOSERINE AMINOTRANSFERASE FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS PLP-DEPENDENT ENZYME DIMER STRUCTURAL GENOMICS MYCOBACTERTUBERCULOSIS STRUCTURAL PROTEOMICS PROJECT XMTB TRANSFERA
Ref.: STRUCTURE OF PHOSPHOSERINE AMINOTRANSFERASE FROM MYCOBACTERIUM TUBERCULOSIS. ACTA CRYSTALLOGR.,SECT.D V. 68 553 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2FYF - 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 3 families.
1 2FYF - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2FYF - 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 : 2FYF; Ligand: PLP; Similar sites found with APoc: 181
This union binding pocket(no: 1) in the query (biounit: 2fyf.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3BS8 PMP 1.25628
2 1QZR ANP 1.25628
3 5G4J EXT 1.25628
4 1GTE FMN 1.50754
5 1GTE IUR 1.50754
6 3B8X G4M 1.53846
7 1LC8 33P 1.64835
8 4B98 PXG 1.75879
9 5W71 9YM 1.75879
10 1ZC9 PMP 1.75879
11 2R2N KYN 1.75879
12 2R2N PMP 1.75879
13 5IWQ PLP 1.75879
14 5W71 PLP 1.75879
15 4L9Z OXL 1.76991
16 6C3C EJ1 1.93705
17 4KQI NIO 1.96629
18 4KQI RBZ 1.96629
19 5YKT PMP 2.01005
20 2X5F PLP 2.01005
21 3FQ8 PMP 2.01005
22 6ECG PM9 2.01005
23 2TPL HPP 2.01005
24 2XBN PMP 2.01005
25 2HOX P1T 2.01005
26 6C8T EQJ 2.12766
27 6C92 EQJ 2.12766
28 6C9B EGV 2.12766
29 1FC4 AKB PLP 2.26131
30 5GVL GI8 2.26131
31 5GVL PLG 2.26131
32 6DND PLP 2.26131
33 1AJS PLA 2.26131
34 6FYQ PLP 2.26131
35 3ITJ CIT 2.36686
36 1OXO IK2 2.49377
37 4ZM4 P3B 2.51256
38 4ZM4 PLP 2.51256
39 4AOA IK2 2.51256
40 4E1O PLP PVH 2.51256
41 1U08 PLP 2.59067
42 3BEO UDP 2.66667
43 1UU1 PMP HSA 2.68657
44 1PMO PLR 2.76382
45 6CD1 PLS 2.76382
46 3NUB UD0 2.76382
47 6CBO DOW 2.76382
48 4JE5 PLP 2.76382
49 4JE5 PMP 2.76382
50 6CD1 PLG 2.76382
51 6EWR PMP 2.76382
52 1JS3 PLP 142 2.76382
53 3NRR D16 2.76382
54 2QE0 NAP 2.76382
55 3DR4 G4M 2.76382
56 1ZXM ANP 2.76382
57 3BWN PMP PHE 2.8133
58 3BWN PMP 2.8133
59 4LNL 2BO 3.003
60 4LNL 2BK 3.003
61 4LNL PLG 3.003
62 1M7Y PPG 3.01508
63 3PD6 PMP 3.01508
64 4UOX PLP 3.01508
65 3PDB PMP 3.01508
66 4ADC PLP 3.01508
67 4UOX PUT 3.01508
68 4UOX PLP PUT 3.01508
69 4IMG NGF 3.07167
70 1GEX PLP HSA 3.08989
71 4OHU 2TK 3.11419
72 4OHU NAD 3.11419
73 2CI5 HCS 3.16901
74 2FNU PMP UD1 3.2
75 5TXR PLP 3.26633
76 5VEQ PMP 3.26633
77 1Q9I FAD 3.26633
78 1Q9I TEO 3.26633
79 1DJ9 KAM 3.26633
80 1MDZ PLP 3.30789
81 1MDZ DCS 3.30789
82 4LAE 1VM 3.59281
83 4LAE NAP 3.59281
84 2F62 12M 3.72671
85 2F67 12B 3.72671
86 2F2T 5IQ 3.72671
87 1MLY ACZ PLP 3.7296
88 4M2K PLP 3.76884
89 5K8B PDG 3.76884
90 4WXG 2BO 3.76884
91 1BZL FAD 3.76884
92 5DDW 5B6 3.76884
93 5G09 6DF 3.76884
94 4WAS NAP 3.84615
95 4BA5 PXG 4.0201
96 4ZAH T5K 4.0201
97 2OGA PGU 4.0201
98 1QO8 FAD 4.0201
99 2IHU TP9 4.0201
100 1LW4 TLP 4.03458
101 1LW4 PLP 4.03458
102 1O69 X04 4.06091
103 1J49 NAD 4.2042
104 2IVN ANP 4.24242
105 2ZC0 PMP 4.27136
106 4FL0 PLP 4.27136
107 6CS8 F9Y 4.29043
108 1H70 CIR 4.31373
109 4R5Z SIN 4.35967
110 4R5Z PMP 4.35967
111 1QXO FMN 4.38144
112 1GCK ASP PLP 4.41558
113 3O9Z AKG 4.48718
114 3O9Z NAD 4.48718
115 4E3Q PMP 4.52261
116 6ANV MTT 4.52261
117 3B8I OXL 4.52962
118 5KGS 6SR 4.59519
119 3CQ5 PMP 4.60705
120 1GDE GLU PLP 4.62725
121 2WLG SOP 4.65116
122 2DBX GLU 4.73684
123 4C3Y FAD 4.77387
124 4C3Y ANB 4.77387
125 5AYV KPL 4.85437
126 5XJ7 87O 4.97512
127 2IZ1 RES 5.02513
128 4RKC PMP 5.02513
129 1GPM CIT 5.27638
130 3W8X FTK 5.27638
131 3W8X FAD 5.27638
132 3VP6 HLD 5.27638
133 1XI9 PLP 5.52764
134 2E7Z MGD 5.52764
135 6FKW PQQ 5.77889
136 1J0D 5PA 5.8651
137 1SFF IK2 6.28141
138 1C7O PPG 6.28141
139 5U23 TQP 6.28272
140 5WYF ILP 6.53266
141 3FWN ATR 6.53266
142 3FWN 6PG 6.53266
143 3CR3 ADP 6.77083
144 4UHO PLP 6.78392
145 2X5D PLP 6.78392
146 4ZSY RW2 6.78392
147 1TOI HCI 6.81818
148 3AI3 SOE 6.84411
149 3AY6 BGC 7.0632
150 3AY6 NAI 7.0632
151 1M5B BN1 7.22433
152 2ZYJ PGU 7.55667
153 4NG2 OHN 7.6087
154 4K2M O1G 8.12641
155 1VJO PLP 8.14249
156 1DFO PLG 8.29146
157 2RGH FAD 8.29146
158 1ELU PDA 8.54271
159 1ELU CSS 8.54271
160 3EI9 PL6 8.54271
161 3A8U PLP 8.79397
162 2D0O ADP 8.8
163 6CBN OZY 9.04523
164 6G47 SIA 9.09091
165 2WK9 PLG 9.2545
166 2WK9 PLP 9.2545
167 3IA4 NDP 9.87654
168 3FRK TQP 9.91957
169 4HVK PMP 9.94764
170 5HCV 60R 10.5058
171 2Z9V PXM 11.2245
172 2R5C C6P 11.4219
173 2R5E QLP 11.4219
174 6FE1 V14 11.6732
175 3WGC PLG 12.9032
176 5W70 9YM 14.1573
177 5W19 9TD 14.5729
178 1M32 PLP 17.7596
179 5L9O GOP 19.0299
180 1WYV PLP AOA 21.3568
181 3ZRR PXG 25
Pocket No.: 2; Query (leader) PDB : 2FYF; Ligand: PLP; Similar sites found with APoc: 16
This union binding pocket(no: 2) in the query (biounit: 2fyf.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5V2J UDP 1.25628
2 5V2J 7WV 1.25628
3 4U0W 16G 1.62602
4 4Z24 FAD 2.01005
5 4EU7 COA 3.01508
6 3WXM GTP 3.45745
7 2IZ1 ATR 5.02513
8 5T9F NAP 5.16605
9 5T9F TYR 5.16605
10 4YCA NDP 5.44218
11 1MV8 NAD 5.77889
12 1H5Q NAP 6.78392
13 4ZSI GLP 8.77193
14 5M45 AMP 8.92857
15 3VGL ANP 10.9034
16 3PNL ADP 14.0056
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