Structure of PDB 5z16 Chain B Binding Site BS01

Receptor Information
>5z16 Chain B (length=739) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STIIYTLTDEAPLLATYSLLPIIETFTKPAGIEIVKSDISVAARVLAEFA
DYLSEEQKVSDNLAELGRLTQDPDTNIIKLPNISASVAQLTACIKELQSK
GYAIPDYPENPATEEEKTIKARYGKCLGSAVNPVLREGNSDRRAPAAVKN
YAKKHPHSMSEWKQWSQTHVSHMEEGDFYHGEKSMTLDRPRNVKMELITN
SGKSIVLKPKVALQEGEIIDSMFMSKKALCDFYEKQLDDCREAGILFSLH
VKATMMKVSHPIVFGHCVKIYYKEAFEKHGKLFDELGINVNNGMAGLYEK
IETLPTSLREEIIEDLHACQEHRPALAMVDSAKGITNFHSPNDIIVDASM
PAMIRAGGKMWGADGKQYDAKAVMPESTFARIYQEMINFCKWHGNFDPKT
MGTVPNVGLMAQKAEEYGSHDKTFEIPEAGIANITDLDTGEVLLTQNVEE
GDIWRMCQVKDAPIRDWVKLAVTRARNSGMPAIFWLDPYRPHENELIKKV
QKYLKDHDTTGLDIQIMSQVRAMRYTLERVVRGLDTISVTGNILRDYLTD
LFPIMELGTSAKMLSIVPLMAGGGMYETGAGGSAPKHVQQLVEENHLRWD
SLGEFLALAVSLEEMGIKENNARTKLLAKTLDEATGKLLDNDKSPSRRTG
ELDNRGSHFYLSLYWAEALAAQNEDAELKAKFAPLAKALAENEQKIVAEL
AQVQGKPADIGGYYAVDPAKVSAVMRPSATFNAALSTVQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5z16 Chain B Residue 802 [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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PDB5z16 A novel dimeric isocitrate dehydrogenase from Acinetobacter baumannii
Resolution3.0 Å
Binding residue
(original residue number in PDB)		D352 D551 D555
Binding residue
(residue number reindexed from 1)		D347 D546 D550
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.42: isocitrate dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0004450 isocitrate dehydrogenase (NADP+) activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5z16, PDBe:5z16, PDBj:5z16
PDBsum5z16
PubMed
UniProtV5VCI0

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