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Receptor
PDB id Resolution Class Description Source Keywords
1M1B 2.25 Å EC: 5.4.2.9 CRYSTAL STRUCTURE OF PHOSPHOENOLPYRUVATE MUTASE COMPLEXED WI SULFOPYRUVATE MYTILUS EDULIS PHOSPHOENOLPYRUVATE MUTASE PEP MUTASE SULFOPYRUVATE ISOME
Ref.: DISSOCIATIVE PHOSPHORYL TRANSFER IN PEP MUTASE CATA STRUCTURE OF THE ENZYME/SULFOPYRUVATE COMPLEX AND K PROPERTIES OF MUTANTS. BIOCHEMISTRY V. 41 10270 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:998;
B:999;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
SPV A:996;
B:997;
Valid;
Valid;
none;
none;
Ki = 22 uM
168.125 C3 H4 O6 S C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M1B 2.25 Å EC: 5.4.2.9 CRYSTAL STRUCTURE OF PHOSPHOENOLPYRUVATE MUTASE COMPLEXED WI SULFOPYRUVATE MYTILUS EDULIS PHOSPHOENOLPYRUVATE MUTASE PEP MUTASE SULFOPYRUVATE ISOME
Ref.: DISSOCIATIVE PHOSPHORYL TRANSFER IN PEP MUTASE CATA STRUCTURE OF THE ENZYME/SULFOPYRUVATE COMPLEX AND K PROPERTIES OF MUTANTS. BIOCHEMISTRY V. 41 10270 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1PYM - OXL C2 O4 C(=O)(C(=O....
2 1M1B Ki = 22 uM SPV C3 H4 O6 S C(C(=O)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 1PYM - OXL C2 O4 C(=O)(C(=O....
2 1M1B Ki = 22 uM SPV C3 H4 O6 S C(C(=O)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 1PYM - OXL C2 O4 C(=O)(C(=O....
2 1M1B Ki = 22 uM SPV C3 H4 O6 S C(C(=O)C(=....
3 1XG3 - PYR C3 H4 O3 CC(=O)C(=O....
4 2DUA Ki = 2 mM OXL C2 O4 C(=O)(C(=O....
5 2HJP - PPR C3 H5 O6 P C(C(=O)C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SPV; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 SPV 1 1
2 SAT 0.571429 0.894737
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M1B; Ligand: SPV; Similar sites found with APoc: 146
This union binding pocket(no: 1) in the query (biounit: 1m1b.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3FPZ AHZ 1.01695
2 5Z2L NDP 1.22449
3 1D1T NAD 1.35593
4 4B5P ACO 1.5
5 1M13 HYF 1.69492
6 4LWP SAH 1.69492
7 2E5A LAQ 1.69492
8 3W54 RNB 1.69492
9 1IY8 NAD 1.87266
10 1BZL FAD 2.0339
11 4W6Z 8ID 2.0339
12 4JNE ATP 2.0339
13 4NKW PLO 2.0339
14 5W10 CMP 2.05128
15 1JH7 UVC 2.1164
16 5ZCT ANP 2.37288
17 5UIU 8CG 2.37288
18 5XDT MB3 2.37288
19 3B1Q NOS 2.37288
20 2Q1W NAD 2.37288
21 5MBC FMN 2.37288
22 1YKF NAP 2.37288
23 2VAR KDG 2.37288
24 4IY7 KOU 2.71186
25 4IYO 0JO 2.71186
26 4IY7 0JO 2.71186
27 5JCA FAD 2.71186
28 2X24 X24 2.71186
29 4V1T ADP 2.71186
30 3H8V ATP 2.73973
31 4JGP PYR 2.76498
32 4G7A AZM 2.82258
33 3RIY NAD 2.9304
34 5WBF LAC 2.96296
35 1OFZ FUC 3.05085
36 3QWB NDP 3.05085
37 3C3N FMN 3.05085
38 5ZUN 9JX 3.05085
39 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 3.05085
40 4Q86 AMP 3.05085
41 1OFZ FUL 3.05085
42 1H74 ADP 3.05085
43 5DX3 EST 3.06513
44 5DXE EST 3.06513
45 5WGQ EST 3.06513
46 5DXG EST 3.06513
47 4MGB XDH 3.13725
48 1AE1 NAP 3.2967
49 2V2V V12 3.32103
50 4RIF 3R2 3.38983
51 4NW6 2NS 3.38983
52 1WPQ NAD 3.38983
53 4GLL NAD 3.38983
54 5USZ SKE 3.46021
55 4OAR 2S0 3.48837
56 4K33 ACP 3.69231
57 2H29 DND 3.7037
58 4K2M O1G 3.72881
59 1DQS NAD 3.72881
60 5K8B PDG 3.72881
61 5KOD IAC 3.72881
62 4LNU GTP 3.72881
63 1S7G NAD 3.95257
64 3RET PYR 3.9604
65 3RET SAL 3.9604
66 1E1M NAP 4.0678
67 1E1M FAD 4.0678
68 5FUB SAH 4.0678
69 2TPL HPP 4.0678
70 4Y30 SAH 4.0678
71 2PTZ PAH 4.0678
72 3TPV ADE 4.0678
73 4OUE IPT 4.0678
74 5NXX 3Q7 4.10448
75 1H6H PIB 4.1958
76 2JHP SAH 4.40678
77 4R74 F6P 4.40678
78 5LRT ADP 4.40678
79 2HQM FAD 4.5929
80 1FEC FAD 4.74576
81 4WZ8 3W7 4.74576
82 1V59 FAD 4.74576
83 3FPF MTA 4.74576
84 3FPF TNA 4.74576
85 2J62 GSZ 4.74576
86 4HWS 1B3 4.74576
87 1EQ2 NAP 4.74576
88 5W4W 9WG 4.74576
89 2X6T NAP 4.74576
90 5O9X G16 4.74576
91 3ICT COA 4.7619
92 1RDT L79 4.92958
93 5X30 4LM 5.08475
94 5X30 7XF 5.08475
95 5X2Z 3LM 5.08475
96 5V2J 7WV 5.42373
97 5V2J UDP 5.42373
98 3LL5 ADP 6.0241
99 3LL5 IPE 6.0241
100 5EXW 7DT 6.1017
101 3NRR UMP 6.1017
102 3X1M COA 6.28931
103 1VLH PNS 6.35838
104 3VPB ADP 6.38298
105 2V2G BEZ 6.43777
106 4RVU NDP 6.44068
107 6EKZ SNP 6.77966
108 1E5F PLP 6.77966
109 6F9Q NAD 7.35294
110 4J26 EST 7.5
111 1PK8 ATP 7.58294
112 4LA7 A1O 7.77202
113 6CIB ADP 7.79661
114 6CI7 ACP 7.79661
115 6C4A PYR 8.13559
116 3OKI OKI 8.15451
117 1QV1 CZH 8.20513
118 1U1W 3HA 8.47458
119 1TZD ADP 8.72727
120 1T0S BML 9.30233
121 4D52 GXL 9.49153
122 4U9W COA 9.66184
123 1LVW TYD 10.1695
124 5ODQ FAD 10.6529
125 4YGF AZM 10.6838
126 1SG4 CO8 11.9231
127 5K04 COA 12.2034
128 1IK4 PGH 12.5
129 3O61 GDD 12.5654
130 5HCV 60R 12.8405
131 5DRB 5FJ 13.0584
132 5E9G GLV 13.8983
133 1IGW PYR 13.8983
134 5IBE 69M 13.8983
135 4AZC NGW 14.5763
136 5DX1 SFG 15.2542
137 4IF4 BEF 15.3846
138 2F5Z FAD 15.625
139 2DYS PGV 16.0714
140 5M3E APR 20.6061
141 4X5S AZM 22.8448
142 4J24 EST 36.8421
143 3B8I OXL 41.8118
144 1XG4 ICT 45.4237
145 3M0J OAF 46.1017
146 1O5Q PYR 46.4407
Pocket No.: 2; Query (leader) PDB : 1M1B; Ligand: SPV; 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: 1m1b.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1M1B; Ligand: SPV; Similar sites found with APoc: 71
This union binding pocket(no: 3) in the query (biounit: 1m1b.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2B5W NAP 1.35593
2 5W71 PLP 1.35593
3 6CAY ERG 1.77515
4 4XW2 SIM 2.0202
5 4O1M NAD 2.0339
6 3GC8 B45 2.0339
7 6FYL 3NG 2.0339
8 5JZJ AN2 2.0339
9 3FAL LO2 2.06612
10 3N5O GSH 2.12766
11 5LW0 AR6 2.1645
12 3ZW2 GLA NAG GAL FUC 2.29885
13 2NVK FAD 2.37288
14 3ZL8 ADP 2.37288
15 4GIM PSU 2.71186
16 2ADA HPR 2.71186
17 5TZJ UD1 2.71186
18 2WA4 069 2.71186
19 2WSB NAD 2.75591
20 4UX9 ANP 3.05085
21 5E1M SAH 3.3195
22 5E1M PRO PRO LYS ARG ILE ALA 3.3195
23 1F0X FAD 3.38983
24 4CYI ATP 3.72881
25 2GQS C2R 3.79747
26 2AQX ATP 3.80623
27 2P2V CSF 3.81944
28 2WTN FER 3.98406
29 4XYB NDP 4.0678
30 5ZEC NAP 4.0678
31 3SXN COA 4.0678
32 2QCS ANP 4.0678
33 5AHS FAD 4.0678
34 5FI3 NAP 4.0678
35 1YKD CMP 4.40678
36 1PZL MYR 4.64135
37 3ND6 ATP 4.67836
38 3KFC 61X 4.74308
39 1TLL FMN 4.74576
40 2AL2 2PG 4.74576
41 2AL2 PEP 4.74576
42 3IPQ 965 4.74576
43 3FS1 MYR 4.78261
44 4DK7 0KS 4.8583
45 1RM0 D6P 5.08475
46 5U23 TQP 5.08475
47 5X80 SAL 5.08475
48 1RV0 DAN 5.08475
49 2PD4 NAD 5.45455
50 2PD4 DCN 5.45455
51 4II2 ATP 5.52147
52 5HSA FAS 5.76271
53 3JYN NDP 6.1017
54 3H78 BE2 6.1017
55 3VPC ADP 6.38298
56 5I8F ML1 6.66667
57 1GPE FAD 7.11864
58 5ZI2 NAD 7.11864
59 5ZI2 ADP 7.11864
60 4FE3 U5P 7.11864
61 1Q19 APC 7.45763
62 3JU6 ARG 7.45763
63 3OLL EST 7.5
64 3B2Q ATP 8.13559
65 3JRS A8S 8.17308
66 1OYF MHN 9.09091
67 1CM0 COA 9.52381
68 5XVG 8FX 10.9215
69 1DQX BMP 12.3596
70 3UYW TAU 15.8879
71 5Z84 PGV 16.0714
Pocket No.: 4; Query (leader) PDB : 1M1B; Ligand: SPV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1m1b.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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