Receptor
PDB id Resolution Class Description Source Keywords
1OI6 1.4 Å EC: 5.-.-.- STRUCTURE DETERMINATION OF THE TMP-COMPLEX OF EVAD AMYCOLATOPSIS ORIENTALIS EPIMERASE VANCOMYCIN GROUP ANTIBIOTIC EVAD ISOMERASE
Ref.: THE POSITION OF A KEY TYROSINE IN DTDP-4-KETO-6-DEOXY-D-GLUCOSE-5-EPIMERASE (EVAD) ALTERS THE SUBSTRATE PROFILE FOR THIS RMLC-LIKE ENZYME J.BIOL.CHEM. V. 279 32684 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1203;
A:1205;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TMP A:1204;
B:1203;
Valid;
Valid;
none;
none;
submit data
322.208 C10 H15 N2 O8 P CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OI6 1.4 Å EC: 5.-.-.- STRUCTURE DETERMINATION OF THE TMP-COMPLEX OF EVAD AMYCOLATOPSIS ORIENTALIS EPIMERASE VANCOMYCIN GROUP ANTIBIOTIC EVAD ISOMERASE
Ref.: THE POSITION OF A KEY TYROSINE IN DTDP-4-KETO-6-DEOXY-D-GLUCOSE-5-EPIMERASE (EVAD) ALTERS THE SUBSTRATE PROFILE FOR THIS RMLC-LIKE ENZYME J.BIOL.CHEM. V. 279 32684 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 1OI6 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 1OI6 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1OI6 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
2 4HN1 - TDR C5 H6 N2 O2 CC1=CNC(=O....
3 4HMZ - 18T C16 H26 N2 O15 P2 C[C@@H]1[C....
4 2IXC - TRH C16 H26 N2 O15 P2 C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TMP; Similar ligands found: 92
No: Ligand ECFP6 Tc MDL keys Tc
1 TMP 1 1
2 TYD 0.80597 0.985714
3 TTP 0.760563 0.985714
4 UFP 0.716418 0.917808
5 TBD 0.708333 0.945205
6 5HU 0.705882 0.957747
7 BRU 0.705882 0.917808
8 5IU 0.695652 0.917808
9 THM 0.693548 0.859155
10 LLT 0.693548 0.859155
11 NYM 0.671429 0.971831
12 FDM 0.671429 0.931507
13 THP 0.661972 0.985507
14 TLO 0.654321 0.931507
15 0DN 0.646154 0.84507
16 ATM 0.64 0.906667
17 BVP 0.64 0.957747
18 DAU 0.635294 0.918919
19 18T 0.623529 0.918919
20 1JB 0.623529 0.918919
21 TRH 0.623529 0.918919
22 3R2 0.623529 0.906667
23 TDX 0.623529 0.931507
24 DWN 0.609195 0.894737
25 T3Q 0.609195 0.894737
26 3YN 0.609195 0.918919
27 T3F 0.609195 0.894737
28 T46 0.602273 0.918919
29 0N2 0.602273 0.883117
30 T3P 0.6 0.957143
31 DT DT DT DT DT 0.597701 0.958333
32 MMF 0.595506 0.894737
33 0FX 0.595506 0.894737
34 AKM 0.593407 0.873418
35 UMP 0.583333 0.956522
36 DU 0.583333 0.956522
37 QDM 0.582418 0.883117
38 DT DT PST 0.577778 0.893333
39 FNF 0.576087 0.906667
40 JHZ 0.576087 0.871795
41 1YF 0.576087 0.906667
42 TXS 0.575342 0.8
43 4TG 0.569892 0.906667
44 T3S 0.56 0.8
45 2DT 0.555556 0.971429
46 ATY 0.548781 0.931507
47 DDN 0.547945 0.956522
48 AZD 0.535714 0.894737
49 FUH 0.53 0.894737
50 QUH 0.53 0.894737
51 T5A 0.524272 0.829268
52 DT DT DT 0.52381 0.890411
53 DT ME6 DT 0.509804 0.881579
54 DCM 0.506494 0.890411
55 DC 0.506494 0.890411
56 AZZ 0.5 0.789474
57 4TA 0.495327 0.817073
58 ABT 0.483516 0.871795
59 QBT 0.480519 0.915493
60 WMJ 0.477778 0.75
61 7SG 0.474138 0.851852
62 TQP 0.474138 0.851852
63 T4K 0.470085 0.841463
64 T5K 0.470085 0.841463
65 DUD 0.469136 0.942857
66 UMC 0.467532 0.901408
67 D3T 0.464286 0.957747
68 TPE 0.463158 0.881579
69 D4M 0.461538 0.927536
70 ID2 0.452055 0.786667
71 UC5 0.451219 0.929577
72 DUT 0.447059 0.942857
73 DUP 0.44186 0.916667
74 DUN 0.440476 0.916667
75 ADS THS THS THS 0.433628 0.776471
76 DT MA7 DT 0.42623 0.807229
77 8OG 0.425287 0.82716
78 BVD 0.423077 0.821918
79 74X 0.42 0.72093
80 74W 0.42 0.72093
81 5FU 0.4125 0.84
82 D4D 0.411765 0.914286
83 PAX 0.408333 0.839506
84 YYY 0.406977 0.878378
85 DA DT DA DA 0.404959 0.82716
86 BTD 0.404762 0.759494
87 DPB 0.404494 0.890411
88 DUT MG 0.404494 0.876712
89 5BU 0.402439 0.84
90 3DT 0.4 0.821918
91 DUS 0.4 0.820513
92 UMP AF3 PO4 0.4 0.842105
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OI6; Ligand: TMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1oi6.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1OI6; Ligand: TMP; Similar sites found: 48
This union binding pocket(no: 2) in the query (biounit: 1oi6.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MLO PAM 0.02362 0.40121 None
2 2X34 UQ8 0.04649 0.40918 2.20994
3 3ZW2 NAG GAL FUC 0.00931 0.41786 2.29885
4 3ZW2 GAL FUC 0.0119 0.4129 2.29885
5 5DQ8 FLF 0.0146 0.422 2.43902
6 4Q0L V14 0.02539 0.40242 2.43902
7 2X32 OTP 0.04684 0.41397 2.7933
8 4MZU TYD 0.0001951 0.48488 2.92683
9 3W68 VIV 0.03488 0.40331 2.92683
10 3GZ8 APR 0.0214 0.40535 3.7037
11 1SU2 ATP 0.03524 0.40181 3.77358
12 4JD3 PLM 0.01203 0.44353 3.90244
13 4JD3 COA 0.02075 0.42834 3.90244
14 2YOO K2B 0.01777 0.40535 3.90244
15 2E56 MYR 0.03772 0.40043 4.16667
16 2PA7 TYD 0.00002309 0.53514 4.25532
17 1AQU EST 0.005266 0.42867 4.87805
18 5IQD GNP 0.0284 0.41933 4.87805
19 5IQD RIO 0.02953 0.41933 4.87805
20 2GQS ADP 0.009187 0.41842 4.87805
21 1M2K APR 0.02706 0.41093 4.87805
22 3FON VAL ASN ASP ILE PHE GLU ALA ILE 0.03 0.4075 5
23 3RUG DB6 0.02083 0.42597 5.05051
24 3G08 FEE 0.03567 0.42169 5.05051
25 1PR9 NAP 0.03564 0.41201 5.36585
26 4CU1 71S 0.01202 0.40965 5.36585
27 2PYW ADP 0.0275 0.40503 5.36585
28 3N9P OGA 0.006943 0.41187 5.85366
29 3N9O OGA 0.008869 0.40541 5.85366
30 3N9Q OGA 0.008762 0.40526 5.85366
31 4XIZ LPP 0.03913 0.40194 5.88235
32 1LN1 DLP 0.03242 0.41176 6.34146
33 5TPU TYD 0.0003416 0.47727 6.47482
34 4WO4 JLS 0.04209 0.40752 7
35 5U98 1KX 0.04705 0.41325 7.07071
36 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.03701 0.40485 7.07071
37 5H2D ERG 0.0182 0.41085 7.31707
38 3AD8 FAD 0.03271 0.42882 7.88177
39 3L9R L9Q 0.03628 0.4064 8.16327
40 4ZU5 THM 0.00306 0.43048 8.33333
41 4RLT FSE 0.004655 0.43606 8.84354
42 3KV4 OGA 0.01523 0.40352 9.26829
43 2YG2 FLC 0.02117 0.4161 12.7907
44 2YG2 S1P 0.01771 0.4161 12.7907
45 1BHX ASP PHE GLU GLU ILE 0.00756 0.42053 17.0068
46 1NYW DAU 0.00003342 0.55293 41.1168
47 1DZT TPE 0.0000007791 0.60446 47.541
48 1DZT ATY 0.000001552 0.59684 47.541
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