Structure of PDB 1bug Chain B Binding Site BS03
Receptor Information
>1bug Chain B (length=336) Species:
4120
(Ipomoea batatas) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
APIQAPEISKCVVPPADLPPGAVVDNCCPPVASNIVDYKLPAVTTMKVRP
AAHTMDKDAIAKFAKAVELMKALPADDPRNFYQQALVHCAYCNGGYDQVN
FPDQEIQVHNSWLFFPFHRWYLYFYERILGKLIGDPSFGLPFWNWDNPGG
MVLPDFLNDSTSSLYDSNRNQSHLPPVVVDLGYNGADTDVTDQQRITDNL
ALMYKQMVTNAGTAELFLGKAYRAGDAPSPGAGSIETSPHIPIHRWVGDP
RNTNNEDMGNFYSAGRDIAFYCHHSNVDRMWTIWQQLARDYTDSDWLNAT
FLFYDENGQAVKVRIGDSLDNQKMGYKYAKTPLPWL
Ligand information
Ligand ID
URS
InChI
InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKey
FULZLIGZKMKICU-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
NC(=S)Nc1ccccc1
ACDLabs 10.04
S=C(Nc1ccccc1)N
OpenEye OEToolkits 1.5.0
c1ccc(cc1)NC(=S)N
Formula
C7 H8 N2 S
Name
N-PHENYLTHIOUREA
ChEMBL
CHEMBL263376
DrugBank
DB03694
ZINC
ZINC000003875720
PDB chain
1bug Chain B Residue 1002 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
1bug
Crystal structure of a plant catechol oxidase containing a dicopper center.
Resolution
2.7 Å
Binding residue
(original residue number in PDB)
H88 H109 H240 H244 M258 N260 F261 H274
Binding residue
(residue number reindexed from 1)
H88 H109 H240 H244 M258 N260 F261 H274
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
H88 H109 H118 H240 H244 F261 H274
Catalytic site (residue number reindexed from 1)
H88 H109 H118 H240 H244 F261 H274
Enzyme Commision number
1.10.3.1
: catechol oxidase.
Gene Ontology
Molecular Function
GO:0004097
catechol oxidase activity
GO:0016491
oxidoreductase activity
View graph for
Molecular Function
External links
PDB
RCSB:1bug
,
PDBe:1bug
,
PDBj:1bug
PDBsum
1bug
PubMed
9846879
UniProt
Q9ZP19
|PPO1_IPOBA Polyphenol oxidase I, chloroplastic (Gene Name=co-1)
[
Back to BioLiP
]