Receptor
PDB id Resolution Class Description Source Keywords
2AL2 1.85 Å EC: 4.2.1.11 CRYSTAL STRUCTURE ANALYSIS OF ENOLASE MG SUBUNIT COMPLEX AT PH 8.0 SACCHAROMYCES CEREVISIAE BETA BARREL LYASE
Ref.: STRUCTURE AND CATALYTIC PROPERTIES OF AN ENGINEERED HETERODIMER OF ENOLASE COMPOSED OF ONE ACTIVE AND ONE INACTIVE SUBUNIT J.MOL.BIOL. V. 355 422 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2PG A:441;
B:441;
Valid;
Valid;
none;
none;
submit data
186.057 C3 H7 O7 P C([C@...
CL B:950;
Invalid;
none;
submit data
35.453 Cl [Cl-]
K B:960;
Part of Protein;
none;
submit data
39.098 K [K+]
MG A:438;
A:439;
B:438;
B:439;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PEP A:440;
B:440;
Valid;
Valid;
none;
none;
submit data
168.042 C3 H5 O6 P C=C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AL2 1.85 Å EC: 4.2.1.11 CRYSTAL STRUCTURE ANALYSIS OF ENOLASE MG SUBUNIT COMPLEX AT PH 8.0 SACCHAROMYCES CEREVISIAE BETA BARREL LYASE
Ref.: STRUCTURE AND CATALYTIC PROPERTIES OF AN ENGINEERED HETERODIMER OF ENOLASE COMPOSED OF ONE ACTIVE AND ONE INACTIVE SUBUNIT J.MOL.BIOL. V. 355 422 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2AL2 - PEP C3 H5 O6 P C=C(C(=O)O....
70% 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 2AL2 - PEP C3 H5 O6 P C=C(C(=O)O....
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 2AL2 - PEP C3 H5 O6 P C=C(C(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2PG; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 2PG 1 1
2 PEZ 0.642857 0.8
3 DG2 0.5625 0.939394
4 0V5 0.482759 0.705882
5 PEQ 0.482759 0.705882
6 G2H 0.481481 0.882353
7 XSP 0.451613 0.757576
8 036 0.439024 0.810811
9 035 0.439024 0.810811
Ligand no: 2; Ligand: PEP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PEP 1 1
2 UVW 0.44 0.709677
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AL2; Ligand: PEP; Similar sites found: 50
This union binding pocket(no: 1) in the query (biounit: 2al2.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2HJR CIT 0.009155 0.40981 1.82927
2 2WET FAD 0.04694 0.40028 2.06422
3 1XS5 MET 0.009701 0.41328 2.48963
4 5K5Z ANP 0.01117 0.41228 2.86624
5 2AWN ADP 0.004028 0.44662 2.88714
6 4QMN DB8 0.03521 0.40021 2.90323
7 1JJ7 ADP 0.007611 0.42859 3.07692
8 3ZNN 4WL 0.02364 0.42639 3.21101
9 3ZNN FAD 0.02364 0.42639 3.21101
10 1U7Z PMT 0.01442 0.4187 3.44037
11 5A5W GUO 0.03598 0.40454 3.55731
12 4YAG NAI 0.03882 0.40542 3.80623
13 2E0N SAH 0.009235 0.40748 3.861
14 1I8T FAD 0.03597 0.40454 4.08719
15 3GD4 FAD 0.02036 0.41534 4.10959
16 2XTZ GSP 0.01569 0.40665 4.23729
17 2Q3M MLA 0.02035 0.40234 4.29448
18 4I4B NAD 0.01753 0.43397 4.6729
19 1Q9I TEO 0.01908 0.43134 4.81651
20 3CX8 GSP 0.0248 0.40099 5.41872
21 3WMX THR 0.01147 0.41268 5.50459
22 1CX4 CMP 0.01324 0.40013 5.57377
23 5KJZ PCG 0.003484 0.42517 6
24 1EU1 MGD 0.0243 0.41142 6.19266
25 4QYS PLP SEP 0.01621 0.40595 6.19266
26 4OFG PCG 0.00251 0.42705 6.25
27 2OFW ADX 0.004899 0.4467 6.73077
28 3WGT FAD 0.03509 0.41167 6.88073
29 3WGT QSC 0.03625 0.41167 6.88073
30 3R7F CP 0.0139 0.40759 6.88073
31 2J5V PCA 0.0122 0.42265 7.35695
32 2W90 6PG 0.02122 0.40026 7.56881
33 2Z48 NGA 0.0171 0.40192 7.63889
34 4ITM ATP 0.01409 0.40891 7.93651
35 1G6H ADP 0.008217 0.42654 8.94942
36 4WZA ADP 0.02132 0.42944 9.42029
37 4WZA ACP 0.02132 0.42944 9.42029
38 3B9Q MLI 0.005286 0.43775 9.60265
39 5BR7 FLC 0.02829 0.42475 9.66921
40 4PPF FLC 0.005856 0.43762 9.71429
41 1TKK ALA GLU 0.003655 0.4057 10.1093
42 1R6W 164 0.001265 0.44563 10.559
43 2ZE7 AMP 0.01242 0.41157 11.0092
44 1J0D 5PA 0.009054 0.42116 11.1437
45 2CBZ ATP 0.01101 0.41599 11.8143
46 1ZUI SKM 0.03534 0.40013 13.0952
47 1GXU 2HP 0.02353 0.41216 13.1868
48 4AUT FAD 0.02892 0.40851 13.5321
49 1N62 MCN 0.02809 0.40723 15.6627
50 4LOO SB4 0.01218 0.40183 27.5862
Pocket No.: 2; Query (leader) PDB : 2AL2; Ligand: 2PG; Similar sites found: 28
This union binding pocket(no: 2) in the query (biounit: 2al2.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BP1 NDP 0.02083 0.41176 1.94444
2 2BW7 ECS 0.04147 0.40784 2.28311
3 3ZNN FAD 0.02534 0.42478 3.21101
4 3ZNN 4WL 0.02534 0.42478 3.21101
5 1KKR 2AS 0.001022 0.41763 3.21101
6 5C79 PBU 0.005383 0.42984 3.33333
7 4H8N NDP 0.02537 0.40175 3.87097
8 1JJE BYS 0.01039 0.4088 4.05405
9 2C91 NAP 0.02037 0.41224 4.14201
10 2IV2 MGD 0.03773 0.40068 4.3578
11 5TVM PUT 0.009556 0.41375 4.70588
12 3WMX THR 0.01708 0.40242 5.50459
13 4G9N NGA 0.01097 0.41053 6.29371
14 5NJI 8Z2 0.01887 0.40554 6.8323
15 5A89 ADP 0.04684 0.40033 7.69231
16 5A89 FMN 0.04684 0.40033 7.69231
17 4I54 1C1 0.01891 0.40932 7.93201
18 1UPR 4IP 0.002945 0.41803 8.13008
19 1QFT HSM 0.01225 0.40171 9.71429
20 1TKK ALA GLU 0.0007935 0.42528 10.1093
21 1UNQ 4IP 0.012 0.4104 10.4
22 1J0D 5PA 0.0104 0.41679 11.1437
23 2GAG FOA 0.02228 0.42045 11.4286
24 5BVA FAD 0.03783 0.40763 12.3853
25 3AD8 PYC 0.03294 0.42353 13.1313
26 3AD8 FAD 0.03294 0.42353 13.1313
27 1GVE NAP 0.02352 0.40802 16.5138
28 3R1Z ALA DGL 0.003042 0.42563 24.8021
Pocket No.: 3; Query (leader) PDB : 2AL2; Ligand: 2PG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2al2.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2AL2; Ligand: PEP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2al2.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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