Receptor
PDB id Resolution Class Description Source Keywords
5AWV 1.93 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF GLYCOPEPTIDE HEXOSE OXIDASE DBV29 COMPL TEICOPLANIN NONOMURAEA SP. ATCC 39727 OXIDOREDUCTASE-ANTIBIOTIC COMPLEX
Ref.: INTERCEPTION OF TEICOPLANIN OXIDATION INTERMEDIATES NEW ANTIMICROBIAL SCAFFOLDS. NAT. CHEM. BIOL. V. 7 304 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN I:1;
J:1;
Valid;
Valid;
none;
none;
submit data
1564.27 n/a Clc1c...
CIT D:602;
A:602;
B:603;
C:602;
O:105;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
T55 GHP 3MY 3FG GHP GHP OMY 3FG N1L NAG MAN P:101;
M:101;
K:101;
O:101;
B:602;
N:101;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
1895.68 n/a Clc1c...
FAD D:601;
B:601;
A:601;
C:601;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AWV 1.93 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF GLYCOPEPTIDE HEXOSE OXIDASE DBV29 COMPL TEICOPLANIN NONOMURAEA SP. ATCC 39727 OXIDOREDUCTASE-ANTIBIOTIC COMPLEX
Ref.: INTERCEPTION OF TEICOPLANIN OXIDATION INTERMEDIATES NEW ANTIMICROBIAL SCAFFOLDS. NAT. CHEM. BIOL. V. 7 304 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5AWV - T55 GHP 3MY 3FG GHP GHP OMY 3FG N1L NAG MAN n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5AWV - T55 GHP 3MY 3FG GHP GHP OMY 3FG N1L NAG MAN n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 2Y3S - TIR C22 H29 N O6 C[C@H]1[C@....
2 2Y3R - TIR C22 H29 N O6 C[C@H]1[C@....
3 2Y4G - TIR C22 H29 N O6 C[C@H]1[C@....
4 5AWV - T55 GHP 3MY 3FG GHP GHP OMY 3FG N1L NAG MAN n/a n/a
5 2IPI - AKY C42 H53 N O15 CC[C@]1(C[....
6 3PQB - VGP C27 H28 O9 C[C@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN; Similar ligands found: 6
Ligand no: 2; Ligand: T55 GHP 3MY 3FG GHP GHP OMY 3FG N1L NAG MAN; Similar ligands found: 6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AWV; Ligand: GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN; Similar sites found: 85
This union binding pocket(no: 1) in the query (biounit: 5awv.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LN0 52B 0.03872 0.43206 1.14723
2 4RKK GLC GLC GLC GLC GLC GLC 0.01906 0.41754 1.80723
3 4I4B NAD 0.02438 0.45512 1.86916
4 4I4B 1CV 0.01259 0.45512 1.86916
5 2PX6 DH9 0.04305 0.4012 1.89873
6 2HHP FLC 0.001566 0.40907 1.91205
7 4RW3 PLM 0.002061 0.44167 1.98676
8 4RW3 TDA 0.008571 0.42199 1.98676
9 5BUK FAD 0.03027 0.4019 2
10 5F1R 42O 0.03011 0.40578 2.1097
11 5KBZ 3B2 0.02791 0.41647 2.12202
12 1D2E GDP 0.009642 0.40561 2.267
13 4CKU P2F 0.007767 0.45549 2.43161
14 1QRP HH0 0.03213 0.40222 2.45399
15 1QY8 RDI 0.02396 0.40911 2.60223
16 2VAT COA 0.04268 0.40422 2.67686
17 5VZ0 2BA 0.03097 0.40165 2.67686
18 2ZCQ B65 0.0382 0.4254 2.73038
19 1YOK P6L 0.03905 0.42432 2.73438
20 5DKK FMN 0.04535 0.40536 2.75862
21 2Q4V ACO 0.01667 0.41827 2.94118
22 2VWA PTY 0.005455 0.40589 2.9703
23 4UCC ZKW 0.005362 0.42516 3.00429
24 3FS1 MYR 0.02946 0.41229 3.04348
25 3P5P A3C 0.01832 0.40699 3.05927
26 4V3I ASP LEU THR ARG PRO 0.01764 0.4057 3.11284
27 5IJJ I6P 0.005363 0.43712 3.125
28 3DCT 064 0.03444 0.4092 3.40426
29 2D3M COA 0.02498 0.41183 3.44828
30 2WYA HMG 0.0384 0.40292 3.47826
31 3RUU 37G 0.04057 0.40391 3.49345
32 2C29 DQH 0.02519 0.42427 3.63289
33 2C29 NAP 0.02519 0.42427 3.63289
34 1ECM TSA 0.02554 0.4026 3.66972
35 1ZDU P3A 0.04465 0.41627 3.67347
36 1XPM HMG 0.02108 0.40907 3.78788
37 1XPM CAA 0.02008 0.40907 3.78788
38 1PZL MYR 0.03469 0.40921 3.79747
39 4QWT ACD 0.02623 0.4276 3.82409
40 1XPK CAA 0.01741 0.41096 3.86598
41 1W96 S1A 0.02716 0.41729 4.0153
42 2VL8 CTS 0.008397 0.41683 4.0153
43 2VL8 UDP 0.009015 0.41683 4.0153
44 3NT6 COA 0.03396 0.40101 4.0153
45 1YDK GTX 0.01743 0.43473 4.05405
46 5N87 N66 0.02295 0.42624 4.15335
47 3FAL LO2 0.01055 0.43942 4.54545
48 5D59 78M 0.02238 0.44376 4.55487
49 5AEI LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.01577 0.42204 4.8951
50 4IEH 1E9 0.02529 0.4214 5.32544
51 1TIW FAD 0.04787 0.41681 5.35373
52 1TIW TFB 0.04787 0.41681 5.35373
53 3UR0 SVR 0.02886 0.40803 5.63107
54 1JGS SAL 0.0209 0.41136 6.52174
55 4ZGM 32M 0.002674 0.43768 6.55738
56 3ZCB ATP 0.02919 0.40504 6.56566
57 3EWK FAD 0.04816 0.40186 6.60793
58 3D78 NBB 0.01457 0.43876 6.72269
59 3WYJ H78 0.03869 0.44471 7.11462
60 5MWE TCE 0.02795 0.40004 7.40741
61 2RH1 CLR 0.03557 0.40045 7.8
62 2AX9 BHM 0.007949 0.44106 7.8125
63 1ZDT PEF 0.04629 0.40863 7.88382
64 2GJ3 FAD 0.02698 0.40357 8.33333
65 1XVB 3BR 0.01842 0.41495 8.48329
66 2HFN FMN 0.0135 0.4238 8.49673
67 1YMT DR9 0.04629 0.413 8.53659
68 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.005322 0.4149 8.85246
69 5NTW 98N 0.03641 0.40872 8.94942
70 2GBB CIT 0.03027 0.40294 8.97436
71 3K9U ACO 0.04994 0.40972 10.6918
72 5KLP IHP 0.02643 0.41209 11.1111
73 1LYB IVA VAL VAL STA ALA STA 0.02474 0.41589 11.3402
74 3ER9 3AT 0.01969 0.40955 12.1212
75 1ID0 ANP 0.03602 0.40295 12.5
76 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 0.03879 0.41218 13
77 3QKD HI0 0.04035 0.41363 13.2597
78 2QRD ATP 0.0448 0.40185 13.4021
79 3N7S 3N7 0.01501 0.4121 13.5417
80 4QVX 3CQ 0.04917 0.40723 14.3713
81 1ELR ACE MET GLU GLU VAL ASP 0.03865 0.40021 14.5038
82 3ZLR X0B 0.04761 0.42146 15.1899
83 5TVI MYR 0.0002027 0.43603 16.3043
84 3RET PYR 0.01315 0.40912 16.8317
85 3RET SAL 0.01315 0.40912 16.8317
Pocket No.: 2; Query (leader) PDB : 5AWV; Ligand: GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 5awv.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WOX NDP 0.03053 0.41075 1.84049
2 5KOR GDP 0.013 0.43884 2.11132
3 1X6V ADP 0.01889 0.40476 2.86807
4 3I6B KDO 0.01719 0.41403 3.88889
5 4BH1 SIA GAL NAG 0.004195 0.45428 3.98773
6 2X68 CTE 0.001974 0.4189 4.15512
7 2JFN UMA 0.01448 0.41875 5.96491
8 3MBG FAD 0.001387 0.49226 7.19424
9 2BD0 NAP 0.02555 0.40179 7.37705
10 5TO8 7FM 0.02822 0.43113 7.80142
Feedback