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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 27 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 26 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 2 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: 90
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 BRU 0.705882 0.917808
7 5HU 0.705882 0.957747
8 5IU 0.695652 0.917808
9 THM 0.693548 0.859155
10 LLT 0.693548 0.859155
11 FDM 0.671429 0.931507
12 NYM 0.671429 0.971831
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 DT DT DT 0.634146 0.930556
20 18T 0.623529 0.918919
21 TDX 0.623529 0.931507
22 TRH 0.623529 0.918919
23 3R2 0.623529 0.906667
24 1JB 0.623529 0.918919
25 3YN 0.609195 0.918919
26 T3F 0.609195 0.894737
27 T3Q 0.609195 0.894737
28 DWN 0.609195 0.894737
29 0N2 0.602273 0.883117
30 T46 0.602273 0.918919
31 T3P 0.6 0.957143
32 DT DT DT DT DT 0.597701 0.958333
33 MMF 0.595506 0.894737
34 0FX 0.595506 0.894737
35 AKM 0.593407 0.873418
36 DT DT PST 0.58427 0.881579
37 DU 0.583333 0.956522
38 UMP 0.583333 0.956522
39 QDM 0.582418 0.883117
40 1YF 0.576087 0.906667
41 JHZ 0.576087 0.871795
42 FNF 0.576087 0.906667
43 TXS 0.575342 0.8
44 4TG 0.569892 0.906667
45 T3S 0.56 0.8
46 2DT 0.555556 0.971429
47 ATY 0.548781 0.931507
48 DDN 0.547945 0.956522
49 AZD 0.535714 0.894737
50 FUH 0.53 0.894737
51 QUH 0.53 0.894737
52 T5A 0.524272 0.829268
53 DT ME6 DT 0.509804 0.881579
54 DC 0.506494 0.890411
55 DCM 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 ADS THS THS THS 0.477477 0.767442
62 7SG 0.474138 0.851852
63 TQP 0.474138 0.851852
64 T4K 0.470085 0.841463
65 T5K 0.470085 0.841463
66 DUD 0.469136 0.942857
67 UMC 0.467532 0.901408
68 D3T 0.464286 0.957747
69 TPE 0.463158 0.881579
70 D4M 0.461538 0.927536
71 ID2 0.452055 0.786667
72 UC5 0.451219 0.929577
73 DUT 0.447059 0.942857
74 DUP 0.44186 0.916667
75 DUN 0.440476 0.916667
76 DT MA7 DT 0.42623 0.807229
77 8OG 0.425287 0.82716
78 BVD 0.423077 0.821918
79 74W 0.42 0.72093
80 74X 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 5BU 0.402439 0.84
89 DUS 0.4 0.820513
90 3DT 0.4 0.821918
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OI6; Ligand: TMP; Similar sites found with APoc: 45
This union binding pocket(no: 1) in the query (biounit: 1oi6.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 6F6J CUW 1.46341
2 6F6J SIN 1.46341
3 2X34 UQ8 2.20994
4 5DQ8 FLF 2.43902
5 5UIV TMP 2.43902
6 2X32 OTP 2.7933
7 4MZU TYD 2.92683
8 2WBP SIN 2.92683
9 2WBP ZZU 2.92683
10 1R5L VIV 2.92683
11 3PG7 PTY 3.41463
12 5H5A 6OU 3.41463
13 5MW8 ATP 3.41463
14 3SAO NKN 3.75
15 3E2M E2M 3.78378
16 4JD3 PLM 3.90244
17 4JD3 COA 3.90244
18 3QKT ANP 3.90244
19 1ZHX HC3 3.90244
20 4KBS PX2 3.90244
21 5IXG OTP 4.14201
22 2PA7 TYD 4.25532
23 1KDK DHT 4.51977
24 5CC2 CKA 4.87805
25 1GP6 QUE 4.87805
26 5WKC TP9 5.36585
27 3EPO MP5 5.36585
28 5TPU TYD 6.47482
29 5H2D ERG 7.31707
30 3L9R L9Q 8.16327
31 3T31 DCQ 8.29268
32 3T31 FAD 8.29268
33 4ZU5 THM 8.33333
34 4RLT FSE 8.84354
35 5DRB 5FJ 9.26829
36 5TSU CYS 11.7073
37 4M26 SIN 12.6829
38 4M26 ZZU 12.6829
39 1VGV UD1 13.6585
40 1D6H COA 16.0976
41 1BHX ASP PHE GLU GLU ILE 17.0068
42 3MTX PGT 19.8675
43 1NYW DAU 41.1168
44 1DZT ATY 47.541
45 1DZT TPE 47.541
Pocket No.: 2; Query (leader) PDB : 1OI6; Ligand: TMP; Similar sites found with APoc: 65
This union binding pocket(no: 2) in the query (biounit: 1oi6.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4MLO PAM None
2 1E3W NAD 1.46341
3 1E6W NAD 1.46341
4 5N0L ILE 1.88679
5 3ZW2 NAG GAL FUC 2.29885
6 3ZW2 GAL FUC 2.29885
7 3OKI OKI 2.43902
8 4WW8 VD9 2.43902
9 5Y72 DST 2.43902
10 3W68 VIV 2.92683
11 1QIN GIP 3.27869
12 5LUN OGA 3.41463
13 4D4U FUC GAL NDG FUC 3.41463
14 2XXP DSL 3.41463
15 6CQF F97 3.41463
16 5OX6 A1Z 3.41463
17 1OH2 SUC 3.41463
18 3GZ8 APR 3.7037
19 1SU2 ATP 3.77358
20 2YOO K2B 3.90244
21 2E56 MYR 4.16667
22 5WX3 COA 4.87805
23 1AQU EST 4.87805
24 2GQS ADP 4.87805
25 6CGD AKN 4.87805
26 6CGD GNP 4.87805
27 1M2K APR 4.87805
28 2GQS C2R 4.87805
29 4OJ8 AKG 4.87805
30 3FON VAL ASN ASP ILE PHE GLU ALA ILE 5
31 3RUG DB6 5.05051
32 3G08 FEE 5.05051
33 1PR9 NAP 5.36585
34 4CU1 71S 5.36585
35 2PYW ADP 5.36585
36 3QUZ QUV 5.85366
37 6FE1 V14 5.85366
38 5ABH YWN 5.85366
39 3N9O OGA 5.85366
40 3N9Q OGA 5.85366
41 3N9P OGA 5.85366
42 4XIZ LPP 5.88235
43 4NJH SAM 6.08696
44 4NJH 2K8 6.08696
45 4J36 1HR 6.34146
46 1LN1 DLP 6.34146
47 4WO4 JLS 7
48 5U98 1KX 7.07071
49 5WL1 CUY 7.07071
50 5WL1 D3D 7.07071
51 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 7.14286
52 3TIK JKF 7.80488
53 3AD8 FAD 7.88177
54 3AD8 PYC 7.88177
55 4F7E 0SH 8.16327
56 6D6L FY4 8.23529
57 4P8K FAD 8.29268
58 4P8K 38C 8.29268
59 4YGF AZM 8.29268
60 3KV4 OGA 9.26829
61 2BS5 BGC GAL FUC 11.1111
62 6GR0 F8W 12.6437
63 2YG2 FLC 12.7907
64 2YG2 S1P 12.7907
65 4P42 PEE 20.4878
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