Structure of PDB 2gz3 Chain B Binding Site BS02

Receptor Information
>2gz3 Chain B (length=347) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GYTVAVVGATGAVGAQMIKMLEESTLPIDKIRYLASARSAGKSLKFKDQD
ITIEETTETAFEGVDIALFSAGSSTSAKYAPYAVKAGVVVVDNTSYFRQN
PDVPLVVPEVNAHALDAHNGIIACPNCSTIQMMVALEPVRQKWGLDRIIV
STYQAVSGAGMGAILETQRELREVLNDGVKPCDLHAEILPSGGDKKHYPI
AFNALPQIDVFTDNDYTYEEMKMTKETKKIMEDDSIAVSATCVRIPVLSA
HSESVYIETKEVAPIEEVKAAIAAFPGAVLEDDVAHQIYPQAINAVGSRD
TFVGRIRKDLDAEKGIHMWVVSDNLLKGAAWNSVQIAETLHERGLVR
Ligand information
Ligand IDAS2
InChIInChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m1/s1
InChIKeyHOSWPDPVFBCLSY-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C=O)C(C(=O)O)N
CACTVS 3.341N[CH](CC=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C=O)[C@H](C(=O)O)N
ACDLabs 10.04O=CCC(N)C(=O)O
CACTVS 3.341N[C@H](CC=O)C(O)=O
FormulaC4 H7 N O3
Name(2R)-2-AMINO-4-OXOBUTANOIC ACID;
ASPARTATE SEMIALDEHYDE
ChEMBL
DrugBankDB04498
ZINCZINC000003870023
PDB chain2gz3 Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gz3 Examination of key intermediates in the catalytic cycle of aspartate-beta-semialdehyde dehydrogenase from a gram-positive infectious bacteria.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N127 C128 G159 E220 R245
Binding residue
(residue number reindexed from 1)		N126 C127 G158 E219 R244
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) C128 Q155 R245 H252
Catalytic site (residue number reindexed from 1) C127 Q154 R244 H251
Enzyme Commision number 1.2.1.11: aspartate-semialdehyde dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004073 aspartate-semialdehyde dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0046983 protein dimerization activity
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009085 lysine biosynthetic process
GO:0009086 methionine biosynthetic process
GO:0009088 threonine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0009097 isoleucine biosynthetic process
GO:0019877 diaminopimelate biosynthetic process
GO:0071266 'de novo' L-methionine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2gz3, PDBe:2gz3, PDBj:2gz3
PDBsum2gz3
PubMed16895909
UniProtA0A0H2UPS5

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