Structure of PDB 8b1v Chain A Binding Site BS02

Receptor Information

>8b1v Chain A (length=358) Species: 141617 (Tabernanthe iboga) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SPEEEHPVKAYGWAVKDRTTGILSPFKFSRRATGDNDIRIKILYCGICHT
DLTSVKNEYEFLSYPLVPGMEIVGIATEVGSKVTKIKVGEKVAVAAYLGT
CGKCYNCVNDLENYCPEVIIGYGTPYHDGTINYGGLSNETVVNERFVLRF
PEKLSPAGGAPLLSAGITAYSAMRNHGLDKPGIHLGVVGLGGLGHLAVKF
AKAFGVRVTVISTTPSKKDEAINNLGADAFLFSRDDKQMRAAIGTFDAII
DTLAVVHPIAPLLDLLRSHGKLVLVGAPSKPLELPTIPLLSGGKSLIGSA
AGNVKQTQEMLDFAAEHDITANIEVIPIDYINTAMERLDKGDIRFRFVVD
IENTLTPP

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

8b1v Chain A Residue 402 [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	8b1v Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Resolution	1.882 Å
Binding residue (original residue number in PDB)	C105 C108 C119
Binding residue (residue number reindexed from 1)	C101 C104 C115
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0016491	oxidoreductase activity
GO:0016616	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0045551	cinnamyl-alcohol dehydrogenase activity
GO:0046872	metal ion binding

	Biological Process
GO:0009809	lignin biosynthetic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:8b1v, PDBe:8b1v, PDBj:8b1v
PDBsum	8b1v
PubMed	36198083
UniProt	A0A5B8X8Z0

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