Structure of PDB 6ms2 Chain A Binding Site BS01

Receptor Information
>6ms2 Chain A (length=511) Species: 279010 (Bacillus licheniformis DSM 13 = ATCC 14580) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HTYTNPVLTGFHPDPSIIRVGEDYYMVNSTFQYFPAIVISHSKDLVHWKI
IGHGITENEGLDLSDINDSHGIWAPDISYHNGTFYIFATHRLNGPTVING
RKLIRRQIMIKSSRPEGPYSKPVFIDEGSGIDPSHFVDGDGKHYMLLSPA
CTLFPLNEECTDISGEPVQIWEGTGRRAPEGPHLLKKDGYYYAILAEGGT
GYSHSITTARSTHLYGPYEPCPYNPILTQTDPDAPIQRAGHGKLVETQNG
EWWAVYLCGRPNQGSYTTVGRETALDPVEWTDDGWFVINNLKGPSLVQRA
PNLPQVKWDEKNFDDFDEDTLGLDWQFVRNPDHSSWSLIERPGYLRLWTG
DWDLHDIRAKNTVVRREKHHLYSAGVKLDFSPSASGEQAGIVCYYSTNNY
LKCCLIYEEGLKIKVVENRSGCQKTLGKKHAEAGPLFLKAVINKQKRDFY
YSYEGKHWHHAGGTEDASFLSDEGSRDAKGHTGTMVGIFANNGGSGRKAA
ADFDWFRYIAY
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6ms2 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ms2 Structure-guided design combined with evolutionary diversity led to the discovery of the xylose-releasing exo-xylanase activity in the glycoside hydrolase family 43.
Resolution2.494 Å
Binding residue
(original residue number in PDB)		D319 G347 D508
Binding residue
(residue number reindexed from 1)		D315 G343 D504
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6ms2, PDBe:6ms2, PDBj:6ms2
PDBsum6ms2
PubMed30556897
UniProtQ65MB6

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