Structure of PDB 8ian Chain B Binding Site BS01

Receptor Information

>8ian Chain B (length=270) Species: 307483 (Caldimonas taiwanensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EFNPYQKGPDPTASALERNGPFAIRSTSVSRTSVSGFGGGRLYYPTASGT
YGAIAVSPGFTGTSSTMTFWGERLASHGFVVLVIDTITLYDQPDSRARQL
KAALDYLATQNGRSSSPIYRKVDTSRRAVAGHSMGGGGSLLAARDNPSYK
AAIPMAPWNTSSTAFRTVSVPTMIFGCQDDSIAPVFSSAIPIYNAIPNST
RKNYVEIRNDDHFCVMNGGGHDATLGKLGISWMKRFVDNDTRYSPFVCGA
EYNRVVSSYEVSRSYNNCPY

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

8ian Chain B Residue 302 [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	8ian Functional tailoring of a PET hydrolytic enzyme expressed in Pichia pastoris
Resolution	2.08 Å
Binding residue (original residue number in PDB)	D232 G241
Binding residue (residue number reindexed from 1)	D210 G219
Annotation score	4

External links

PDB	RCSB:8ian, PDBe:8ian, PDBj:8ian
PDBsum	8ian
PubMed	38647782

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