Structure of PDB 5vrb Chain B Binding Site BS01

Receptor Information
>5vrb Chain B (length=646) Species: 521006 (Neisseria gonorrhoeae NCCP11945) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQLANVIRFLSADAVQKANSGHPGAPMGMAEMAETLWTKFLNHNPANPKF
YNRDRFVLSNGHASMLLYSLLHLTGYNLSIEDLKNFRQLHSKTPGHPEYG
YTDGVETTTGPLGQGIANAVGMALAEKILAAEFNKDGLNIVDHYTYVFMG
DGCLMEGVSHEACSLAGTLGLGKLIVLYDDNNISIDGKVDGWFTENIPQR
FESYGWHVVPNVNGHDTAAIQTAIEAARAETGKPSIICCKTLIGKGSANK
EGSHKTHGAPLGADEIEATRKHLGWAYPAFEIPQEIYDAWNAKEKGAKLE
AGWNELFAQYQAKYPAEAAEFVRRMDKKLPENFDEYVQTALKEVCAKQNS
IEILAKELPELVGGSADLTPSNLTDWSNSVSVTRDKGGNYIHYGVREFGM
GAIMNGLVLHGGVKPFGATFLMFSEYERNALRMAALMKINPVFVFTHDSI
GLGEDGPTHQPIEQTATLRLIPNMDVWRPCDTAESLVAWAEAAKAEDHPS
CLIFSRQNFQARSEQQLNDIKRGAYVISEAQGNAQAVIIATGSEVGLAVE
AQKVLAGQGIAVRVVSMPSTSVFDRQDAAYQAAVLPEGLPRIAVEAGHTN
GWYKYVGLNGAVVGINRFGESAPADLLFKAFGFTVDNVVDTVKSVL
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 chain5vrb Chain B Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5vrb Crystal structure of a transketolase from Neisseria gonorrhoeae
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D152 N182 I184
Binding residue
(residue number reindexed from 1)		D151 N181 I183
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H23 I244 H258 E408 Y437 H470
Catalytic site (residue number reindexed from 1) H22 I243 H257 E397 Y426 H459
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:5vrb, PDBe:5vrb, PDBj:5vrb
PDBsum5vrb
PubMed
UniProtB4RKU9

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