Structure of PDB 1hm9 Chain B Binding Site BS01

Receptor Information
>1hm9 Chain B (length=458) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNFAIILAAGKGTRMKSDLPKVLHKVAGISMLEHVFRSVGAIQPEKTVTV
VGHKAELVEEVLAGQTEFVTQSEQLGTGHAVMMTEPILEGLSGHTLVIAG
DTPLITGESLKNLIDFHINHKNVATILTAETDNPFGYGRIVRNDNAEVLR
IVEQKDATDFEKQIKEINTGTYVFDNERLFEALKNINTNNAQGEYYITDV
IGIFRETGEKVGAYTLKDFDESLGVNDRVALATAESVMRRRINHKHMVNG
VSFVNPEATYIDIDVEIAPEVQIEANVILKGQTKIGAETVLTNGTYVVDS
TIGAGAVITNSMIEESSVADGVTVGPYAHIRPNSSLGAQVHIGNFVEVKG
SSIGENTKAGHLTYIGNCEVGSNVNFGAGTITVNYDGKNKYKTVIGDNVF
VGSNSTIIAPVELGDNSLVGAGSTITKDVPADAIAIGRGRQINKDEYATR
LPHHPKNQ
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 chain1hm9 Chain B Residue 2901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hm9 Crystal structure of Streptococcus pneumoniae N-acetylglucosamine-1-phosphate uridyltransferase bound to acetyl-coenzyme A reveals a novel active site architecture.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D102 N227
Binding residue
(residue number reindexed from 1)		D101 N226
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R15
Catalytic site (residue number reindexed from 1) R14
Enzyme Commision number 2.3.1.157: glucosamine-1-phosphate N-acetyltransferase.
2.7.7.23: UDP-N-acetylglucosamine diphosphorylase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003977 UDP-N-acetylglucosamine diphosphorylase activity
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
GO:0016779 nucleotidyltransferase activity
GO:0019134 glucosamine-1-phosphate N-acetyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0000902 cell morphogenesis
GO:0006048 UDP-N-acetylglucosamine biosynthetic process
GO:0008360 regulation of cell shape
GO:0009058 biosynthetic process
GO:0009245 lipid A biosynthetic process
GO:0009252 peptidoglycan biosynthetic process
GO:0071555 cell wall organization
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1hm9, PDBe:1hm9, PDBj:1hm9
PDBsum1hm9
PubMed11118459
UniProtQ97R46|GLMU_STRPN Bifunctional protein GlmU (Gene Name=glmU)

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