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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 318 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 280 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 187 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: 7
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 with APoc: 151
This union binding pocket(no: 1) in the query (biounit: 5awv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 5ET3 60C None
3 5MT9 SRO None
4 5MT9 ARG None
5 3LN0 52B 1.14723
6 3GQT UFO 1.25313
7 2IYG FMN 1.6129
8 5OSW AE4 1.72084
9 4O1Z MXM 1.72084
10 4RKK GLC GLC GLC GLC GLC GLC 1.80723
11 4I4B 1CV 1.86916
12 4I4B NAD 1.86916
13 2PX6 DH9 1.89873
14 5NWI TYR PHE SER SEP ASN 1.9084
15 5N5U 7N8 1.91083
16 2HHP FLC 1.91205
17 5UQK U2F 1.91205
18 4RW3 PLM 1.98676
19 4RW3 TDA 1.98676
20 5BUK FAD 2
21 5KBZ 3B2 2.12202
22 4F06 PHB 2.15633
23 5LGD PLM 2.23464
24 1D2E GDP 2.267
25 1UBY DMA 2.45232
26 1QRP HH0 2.45399
27 1OPK MYR 2.48566
28 1GNI OLA 2.67686
29 2VAT COA 2.67686
30 5VZ0 2BA 2.67686
31 2ZCQ B65 2.73038
32 1YOK P6L 2.73438
33 5DKK FMN 2.75862
34 2BYC FMN 2.91971
35 2Q4V ACO 2.94118
36 2VWA PTY 2.9703
37 4UCC ZKW 3.00429
38 5IM3 DTP 3.01142
39 2GWH PCI 3.02013
40 3FS1 MYR 3.04348
41 3P5P A3C 3.05927
42 4V3I ASP LEU THR ARG PRO 3.11284
43 5IJJ I6P 3.125
44 6H21 UD1 3.18841
45 4FC7 NAP 3.2491
46 4FC7 COA 3.2491
47 3W5N RAM 3.25048
48 3DCT 064 3.40426
49 5BQS 4VN 3.40557
50 3OKI OKI 3.43348
51 2D3M COA 3.44828
52 2WYA HMG 3.47826
53 3RUU 37G 3.49345
54 2C29 DQH 3.63289
55 2C29 NAP 3.63289
56 4DK7 0KS 3.64372
57 1ECM TSA 3.66972
58 1ZDU P3A 3.67347
59 5A4W QCT 3.77358
60 1XPM HMG 3.78788
61 1XPM CAA 3.78788
62 1PZL MYR 3.79747
63 1K7L 544 3.81944
64 4QWT ACD 3.82409
65 1XPK CAA 3.86598
66 3IPQ 965 3.88693
67 6CEP OXM 3.89222
68 6CEP NAD 3.89222
69 1W96 S1A 4.0153
70 2VL8 UDP 4.0153
71 2VL8 CTS 4.0153
72 3NTA COA 4.0153
73 3NT6 COA 4.0153
74 5N87 N66 4.15335
75 5OLK DTP 4.18605
76 3NTD COA 4.2065
77 5HCV 60R 4.28016
78 1UDY FAD 4.54545
79 3FAL LO2 4.54545
80 1UDY CS8 4.54545
81 3JRX S1A 4.58891
82 1XZ3 ICF 4.5977
83 3GF2 SAL 4.79452
84 5NM7 GLY 4.88722
85 5AEI LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 4.8951
86 5CC2 CKA 4.90566
87 5W7B MYR 4.9763
88 3VVY ET 5.15464
89 1D6H COA 5.16796
90 6GL8 F3Q 5.23256
91 5LX9 OLB 5.28169
92 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 5.29801
93 1TIW TFB 5.35373
94 1TIW FAD 5.35373
95 3UR0 SVR 5.63107
96 3AI3 SOE 5.70342
97 3B6C SDN 5.98291
98 2P4Y C03 6.13718
99 5X80 SAL 6.25
100 4ASJ N6A 6.48464
101 1JGS SAL 6.52174
102 4ZGM 32M 6.55738
103 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 6.55738
104 3ZCB ATP 6.56566
105 4KXL 6C6 6.57895
106 3EWK FAD 6.60793
107 3D78 NBB 6.72269
108 3BPX SAL 6.75676
109 3P7N FMN 6.97674
110 3HST MLR 7.0922
111 5MWE TCE 7.40741
112 1YRX FMN 7.43802
113 4Y9J UCC 7.45698
114 2Y31 SMQ 7.49064
115 3LEO GSH 7.74194
116 2BCG GER 7.76699
117 2RH1 CLR 7.8
118 2AX9 BHM 7.8125
119 5HWO HMG 7.85714
120 1ZDT PEF 7.88382
121 2GJ3 FAD 8.33333
122 6B2M COA 8.39161
123 1XVB 3BR 8.48329
124 2HFN FMN 8.49673
125 1YMT DR9 8.53659
126 6A0S NDP 8.60421
127 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 8.85246
128 2GBB CIT 8.97436
129 6BR8 6OU 9.12698
130 1R6N 434 9.47867
131 2W24 LYS 10.6667
132 3K9U ACO 10.6918
133 5KLP IHP 11.1111
134 1LYB IVA VAL VAL STA ALA STA 11.3402
135 4XF6 LIP 12.0879
136 4XF6 INS 12.0879
137 4XF6 ADP 12.0879
138 3ER9 3AT 12.1212
139 1ID0 ANP 12.5
140 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 13
141 3QKD HI0 13.2597
142 2QRD ATP 13.4021
143 3N7S 3N7 13.5417
144 4QVX 3CQ 14.3713
145 1ELR ACE MET GLU GLU VAL ASP 14.5038
146 3RUG DB6 15.1515
147 3ZLR X0B 15.1899
148 5TVI MYR 16.3043
149 1TX4 ALF GDP 16.6667
150 3RET SAL 16.8317
151 3RET PYR 16.8317
Pocket No.: 2; Query (leader) PDB : 5AWV; Ligand: GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN; Similar sites found with APoc: 20
This union binding pocket(no: 2) in the query (biounit: 5awv.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2WOX NDP 1.84049
2 5KOR GDP 2.11132
3 1X6V ADP 2.86807
4 1GUZ NAD 2.90323
5 5VMC SIA GAL NAG 3.68098
6 1GV0 NAD 3.87097
7 4BH1 SIA GAL NAG 3.98773
8 2X68 CTE 4.15512
9 6BC3 COA 4.97132
10 6BC3 SIS 4.97132
11 1D09 PAL 5.22876
12 4KQL 1SG 5.70175
13 2JFN UMA 5.96491
14 9LDB NAD 6.3253
15 9LDT NAD 6.3253
16 3MBG FAD 7.19424
17 2BD0 NAP 7.37705
18 5TO8 7FM 7.80142
19 3O55 FAD 8
20 3LF0 ATP 12.2807
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