Structure of PDB 4xeu Chain A Binding Site BS01

Receptor Information
>4xeu Chain A (length=632) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPSRRERANAIRALSMDAVQKANSGHPGAPMGMADIAEVLWRDYMQHNPS
NPQWANRDRFVLSNGHGSMLIYSLLHLTGYDLGIEDLKNFRQLNSRTPGH
PEYGYTAGVETTTGPLGQGIANAVGMALAEKVLAAQFNRDGHAVVDHYTY
AFLGDGCMMEGISHEVASLAGTLRLNKLIAFYDDNGGWFTDDTPKRFEAY
GWQVIRNVDGHDADEIKTAIDTARKSDQPTLICCKTVIGFADEIAATRAA
LGWEHAPFEIPAQIYAEWDAKETGAAQEAEWNKRFAAYQAAHPELAAELL
RRLKGELPADFAEKAAAYVADVANKGETIASRKASQNALNAFGPLLPELL
GGSADTLWKGCKGVSADDAAGNYVFYGVREFGMSAIMNGVALHGGFIPYG
ATFLIFMEYARNAVRMSALMKQRVLYVFTHDSIGLGEDGPTHQPIEQLAS
LRLTPNLDTWRPADAVESAVAWKHAIERADGPSALIFSRQNLPHQARDVA
QVADIARGGYVLKDCEGEPELILIATGSEVGLAVQAYDKLSEQGRKVRVV
SMPCTSVYEQQDESYKQSVLPVEVGARIAIEAAHADYWYKYVGLDGRIIG
MTSFGESAPAPALFEHFGFTLDNVLAVAEELL
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 chain4xeu Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xeu Crystal structure of a transketolase from Pseudomonas aeruginosa
Resolution1.95 Å
Binding residue
(original residue number in PDB)		N215 E223
Binding residue
(residue number reindexed from 1)		N207 E215
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H26 I246 E411 H473
Catalytic site (residue number reindexed from 1) H26 I238 E380 H442
Enzyme Commision number 2.2.1.1: transketolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004802 transketolase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006098 pentose-phosphate shunt
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4xeu, PDBe:4xeu, PDBj:4xeu
PDBsum4xeu
PubMed
UniProtQ9I5Y8

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