Structure of PDB 5cpo Chain B Binding Site BS03

Receptor Information

>5cpo Chain B (length=359) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SALFEPYTLKDVTLRNRIAIPPMCQYMAEDGLINDWHQVHYASMARGGAG
LLVVEATAVAPEGRITPGCAGIWSDAHAQAFVPVVQAIKAAGSVPGIQIA
HAGRKASANRPWEGDDHIGADDARGWETIAPSAIAFGAHLPNVPRAMTLD
DIARVKQDFVDAARRARDAGFEWIELHFAHGYLGQSFFSEHSNKRTDAYG
GSFDNRSRFLLETLAAVREVWPENLPLTARFGVLEYDGRDEQTLEESIEL
ARRFKAGGLDLLSVSVGFTIPETNIPWGPAFMGPIAERVRREAKLPVTSA
WGFGTPQLAEAALQANQLDLVSVGRAHLADPHWAYFAAKELGVEKASWTL
PAPYAHWLE

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

5cpo Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5cpo Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
Resolution	1.65 Å
Binding residue (original residue number in PDB)	E128 V144
Binding residue (residue number reindexed from 1)	E127 V143
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	C25 H178 H181 Y183 R231 R240
Catalytic site (residue number reindexed from 1)	C24 H177 H180 Y182 R230 R239
Enzyme Commision number	?

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0003959	NADPH dehydrogenase activity
GO:0010181	FMN binding
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding
GO:0050661	NADP binding

View graph for
Molecular Function

External links

PDB	RCSB:5cpo, PDBe:5cpo, PDBj:5cpo
PDBsum	5cpo
PubMed	26727612
UniProt	Q9R9V9

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