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Receptor
PDB id Resolution Class Description Source Keywords
3L6R 1.7 Å EC: 5.1.1.18 THE STRUCTURE OF MAMMALIAN SERINE RACEMASE: EVIDENCE FOR CONFORMATIONAL CHANGES UPON INHIBITOR BINDING HOMO SAPIENS PYRIDOXAL PHOSPHATE PLP SERINE RACEMASE ISOMERASE
Ref.: THE STRUCTURE OF MAMMALIAN SERINE RACEMASE: EVIDENC CONFORMATIONAL CHANGES UPON INHIBITOR BINDING. J.BIOL.CHEM. V. 285 12873 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI A:347;
Valid;
none;
submit data
102.046 C3 H2 O4 C(C(=...
MN A:348;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L6R 1.7 Å EC: 5.1.1.18 THE STRUCTURE OF MAMMALIAN SERINE RACEMASE: EVIDENCE FOR CONFORMATIONAL CHANGES UPON INHIBITOR BINDING HOMO SAPIENS PYRIDOXAL PHOSPHATE PLP SERINE RACEMASE ISOMERASE
Ref.: THE STRUCTURE OF MAMMALIAN SERINE RACEMASE: EVIDENC CONFORMATIONAL CHANGES UPON INHIBITOR BINDING. J.BIOL.CHEM. V. 285 12873 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3L6B - MLI C3 H2 O4 C(C(=O)[O-....
2 3L6R - MLI C3 H2 O4 C(C(=O)[O-....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3L6B - MLI C3 H2 O4 C(C(=O)[O-....
2 3L6R - MLI C3 H2 O4 C(C(=O)[O-....
3 3L6C - MLI C3 H2 O4 C(C(=O)[O-....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GN2 - C5P C9 H14 N3 O8 P C1=CN(C(=O....
2 2ZR8 - SER C3 H7 N O3 C([C@@H](C....
3 1WTC - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3L6B - MLI C3 H2 O4 C(C(=O)[O-....
5 3L6R - MLI C3 H2 O4 C(C(=O)[O-....
6 3L6C - MLI C3 H2 O4 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 OXL 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3L6R; Ligand: MLI; Similar sites found with APoc: 175
This union binding pocket(no: 1) in the query (biounit: 3l6r.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4IF4 BEF None
2 5UMY TNN None
3 3F6R FMN 0.578035
4 1G8S MET 1.30435
5 4CYD CMP 1.44509
6 3WGT FAD 1.7341
7 3WGT QSC 1.7341
8 3HQP FDP 1.7341
9 2POC BG6 1.7341
10 6GNF QPS 1.7341
11 3RIY NAD 1.8315
12 1NST A3P 1.84615
13 5DXV NAP 1.92308
14 3HBF MYC 2.02312
15 3V91 UPG 2.06186
16 1KRH FAD 2.07101
17 2BNF UTP 2.07469
18 3DLS ADP 2.08955
19 4M4K XYP XYP 2.09059
20 4M4K GDU 2.09059
21 3N0S ACO 2.23881
22 1ZGD NAP 2.24359
23 1W8S FBP 2.28137
24 5B3A 0JO 2.31214
25 1Q9I TEO 2.31214
26 1Q9I FAD 2.31214
27 2X6T NAP 2.31214
28 5WS9 AMP 2.60116
29 4YKG NAD 2.60116
30 4YKG FAD 2.60116
31 5XVS NAG 2.60116
32 5XVS UDP 2.60116
33 1D1T NAD 2.60116
34 3HWW AKG 2.60116
35 4B5W PYR 2.73438
36 5XDR ADP 2.75362
37 1V84 UDP 2.7668
38 3CU0 GAL GAL SO4 2.84698
39 3CU0 UDP 2.84698
40 1EKO I84 2.85714
41 1EKO NAP 2.85714
42 3KJS DQ1 2.89017
43 1WMA NDP 2.89017
44 1WMA AB3 2.89017
45 3KJS NAP 2.89017
46 1GQ2 NAP 2.89017
47 4D3F NAP 2.90323
48 4UUG PXG 3.01205
49 2JG1 ANP 3.0303
50 4RZ3 ADP 3.05085
51 5AVF TAU 3.11284
52 1UZD CAP 3.17919
53 4KM2 ATR 3.35196
54 4N82 FMN 3.37079
55 2FCR FMN 3.46821
56 3IAE D7K 3.46821
57 2AGD NAG MAN BMA 3.48432
58 2AGD UDH 3.48432
59 1TE2 PGA 3.53982
60 1OBV FMN 3.5503
61 1CZR FMN 3.5503
62 4ZCC FAD 3.57143
63 2GZM DGL 3.74532
64 3F8D FAD 3.75723
65 2IHK CSF 3.75723
66 2Z4T C5P 3.75723
67 1XHC FAD 3.75723
68 1P9B HDA 3.75723
69 5TE1 7A2 3.75723
70 2OAT PFM 3.75723
71 5VEG FMN 3.93258
72 4CBU ATP 3.93701
73 3I54 CMP 4.01606
74 4IP7 FBP 4.04624
75 4B2D FBP 4.04624
76 4PLT NAI 4.04624
77 1P9P SAH 4.04624
78 4R74 F6P 4.04984
79 3H4V NAP 4.16667
80 2BOY BHO 4.33071
81 1TUF AZ1 4.33526
82 5ZYN FAD 4.33526
83 1TMX BEZ 4.33526
84 2IMI GSH 4.52489
85 4YQE PLQ 4.56853
86 4YQE FMN 4.56853
87 3N39 FMN 4.57516
88 2RGO FAD 4.62428
89 4EIL NDP 4.62428
90 3REF GDP 4.63918
91 2J0B UDP 4.64286
92 3ELW SAM 4.66667
93 3ELW GP3 4.66667
94 2V2V V12 4.79705
95 5D4V SAH 4.85075
96 1UWK URO 4.91329
97 1UWK NAD 4.91329
98 5KVS NAP 4.91329
99 1TLL FMN 5.20231
100 1Q7B NAP 5.32787
101 1VB3 KPA 5.49133
102 1EM6 NBG 5.49133
103 1JQ3 AAT 5.49133
104 1QZR ANP 5.49133
105 1YNH SUO 5.78035
106 1U59 STU 5.92335
107 5WO4 B7V 5.96026
108 1N62 FAD 6.0241
109 5KMS FAD 6.06936
110 1NVM NAD 6.06936
111 4KP7 NAP 6.35838
112 4KP7 1UQ 6.35838
113 1J0D 5PA 6.35838
114 4IRP UDP 6.3745
115 2OYS FMN 6.61157
116 2BGS NDP 6.97674
117 3DAA PDD 7.22022
118 4HDH ATP 7.22543
119 5NUL FMN 7.24638
120 3X1Z GNP 7.51445
121 1YTM ATP 7.51445
122 4HEQ FMN 7.53425
123 4BMO FMN 7.56302
124 5YFT RI2 7.71605
125 3U2U UDP 7.80347
126 3DCJ THH 7.90698
127 1T8U UAP SGN IDS SGN 8.09249
128 1T8U A3P 8.09249
129 5LJI FMN 8.10811
130 5KDO GDP 8.10811
131 1FL2 FAD 8.3815
132 4XTR ATP 8.3815
133 4XVU ATP 8.3815
134 4CE5 PDG 8.3815
135 1L7N ALF 8.53081
136 5ECP ATP 8.67052
137 4EPL JAI 8.67052
138 2OHH FMN 8.67052
139 6EBQ FMN 8.75
140 1AKV FMN 8.84354
141 4KCT FDP 8.95954
142 1AG9 FMN 9.14286
143 2V6A CAP 9.28571
144 3QWB NDP 10.1796
145 1T57 FMN 10.1942
146 6FSG FMN 10.2041
147 1YRO GDU 10.5691
148 3OND ADN 10.6936
149 3OND NAD 10.6936
150 5XJ8 NKO 10.9453
151 4IMG NGF 10.9827
152 1KQN NAD 11.4695
153 1FO3 KIF 11.5607
154 3EWP APR 12.4294
155 3QF7 ANP 14
156 1CX9 NHP 15.3179
157 1D6S PLP MET 18.6335
158 1D6S MET PLP 18.6335
159 4Q4K FMN 18.7861
160 4D9C PMP 19.3642
161 1V7C HEY 21.9653
162 6CUZ FEV 22.8324
163 6AMI TRP 23.1214
164 6AM8 PLT 23.4104
165 6AM8 TRP 23.4104
166 3ZS9 ADP ALF 23.6842
167 4D9M 0JO 25.1445
168 3PC3 P1T 26.3006
169 5I7A 68Q 26.9939
170 5D85 P1T 28.3237
171 3VC3 C6P 35.4651
172 3X44 PUS 36.1446
173 6C2Z P1T 36.4162
174 3ZEI AWH 36.7742
175 4JBL MET 41.0405
Pocket No.: 2; Query (leader) PDB : 3L6R; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3l6r.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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