Structure of PDB 1n1p Chain A Binding Site BS01

Receptor Information
>1n1p Chain A (length=498) Species: 1931 (Streptomyces sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GYVPAVVIGTGYGAAVSALRLGEAGVQTLMLEMGQLWNQPGPDGNIFCGM
LNPDKRSSWFKNRTEAPLGSFLWLDVVNRNIDPYAGVLDRVNYDQMSVYV
GRGVGGGSLVNGGMAVEPKRSYFEEILPRVDSSEMYDRYFPRANSMLRVN
HIDTKWFEDTEWYKFARVSREQAGKAGLGTVFVPNVYDFGYMQREAAGEV
PKSALATEVIYGNNHGKQSLDKTYLAAALGTGKVTIQTLHQVKTIRQTKD
GGYALTVEQKDTDGKLLATKEISCRYLFLGAGSLGSTELLVRARDTGTLP
NLNSEVGAGWGPNGNIMTARANHMWNPTGAHQSSIPALGIDAWDNSDSSV
FAEIAPMPAGLETWVSLYLAITKNPQRGTFVYDAATDRAKLNWTRDQNAP
AVNAAKALFDRINKANGTIYRYDLFGTQLKAFADDFCYHPLGGCVLGKAT
DDYGRVAGYKNLYVTDGSLIPGSVGVNPFVTITALAERNVERIIKQDV
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain1n1p Chain A Residue 512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1n1p Atomic Resolution Density Maps Reveal Secondary Structure Dependent Differences in Electronic Distribution
Resolution0.95 Å
Binding residue
(original residue number in PDB)		H331 N424 V506
Binding residue
(residue number reindexed from 1)		H323 N416 V498
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E361 H447 N485
Catalytic site (residue number reindexed from 1) E353 H439 N477
Enzyme Commision number 1.1.3.6: cholesterol oxidase.
5.3.3.1: steroid Delta-isomerase.
Gene Ontology
Molecular Function
GO:0004769 steroid delta-isomerase activity
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0016853 isomerase activity
GO:0016995 cholesterol oxidase activity
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0006707 cholesterol catabolic process
GO:0008203 cholesterol metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1n1p, PDBe:1n1p, PDBj:1n1p
PDBsum1n1p
PubMed14558826
UniProtP12676|CHOD_STRS0 Cholesterol oxidase (Gene Name=choA)

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