Structure of PDB 8i7h Chain B Binding Site BS02

Receptor Information
>8i7h Chain B (length=297) Species: 585 (Proteus vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKIKVAIVGYGNIGRFALEAVQAAQDFELVGVVRRDINNVPEELQNITVT
NDIKTLGDVDVALLCSPTRAIKELAKSILSLGINTVDSFDVHSEIVSLKT
ELDDVAKKHDRVAVISAGWDPGSDSIVRTLMLAMAPKGITYTNFGPGMSM
GHSVAAKAIEGVKDALSMTIPLGTGVHRRMVYVELEAGANFNQVEQAIKA
DSYFSSDETHVKQVDSVDSLKDVGHGVHMTHKGVSGKTHNQLFEYSMRIN
NPALTSQFMVSAARASMKQRAGAYTVIEIPPVDFLAGDLNTLIAKLV
Ligand information
Ligand IDAPI
InChIInChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+
InChIKeyGMKMEZVLHJARHF-SYDPRGILSA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[CH](CCC[CH](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.2C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.2C(CC(C(=O)O)N)CC(C(=O)O)N
CACTVS 3.370N[C@@H](CCC[C@@H](N)C(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCC(C(=O)O)N
FormulaC7 H14 N2 O4
Name2,6-DIAMINOPIMELIC ACID
ChEMBLCHEMBL415306
DrugBank
ZINCZINC000001532722
PDB chain8i7h Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8i7h Analysis of the catalytic mechanism of meso-DAPDH and extension of D-aromatic amino acid substrate scope
Resolution3.02 Å
Binding residue
(original residue number in PDB)		G120 W121 D122 F146 H227
Binding residue
(residue number reindexed from 1)		G118 W119 D120 F144 H225
Annotation score5
Enzymatic activity
Enzyme Commision number 1.4.1.16: diaminopimelate dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0047850 diaminopimelate dehydrogenase activity
Biological Process
GO:0009085 lysine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0019877 diaminopimelate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8i7h, PDBe:8i7h, PDBj:8i7h
PDBsum8i7h
PubMed
UniProtA0A379F6K8

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