Structure of PDB 2gtq Chain A Binding Site BS01

Receptor Information
>2gtq Chain A (length=864) Species: 122586 (Neisseria meningitidis MC58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVHYLKDYQTPAYHILKTDLHFDINEPQTVVKSRLTVEPQRVGEPLVLDG
SAKLLSVKINGAAADYVLEGETLTIAGVPSERFTVEVETEILPAENKSLM
GLYASGGNLFTQCEPEGFRKITFYIDRPDVMSKFTTTIVADKKRYPVLLS
NGNKIDGGEFSDGRHWVKWEDPFSKPSYLFALVAGDLAVTEDYFTTMSGR
NVKIEFYTTEADKPKVGFAVESLKNAMKWDETRFGLEYDLDIFMVVAVGD
FNMGAMENKGLNIFNTKFVLADSRTATDTDFEGIESVVGHEYFHNWTGNR
VTCRDWFQLSLKEGLTVFRDQEFSGDRASRAVRRIENIRLLRQHQFPEDA
GPTAHPVRPASYEEMNNFYTMTVYEKGAEVVRMYHTLLGEEGFQKGMKLY
FQRHDGQAVTCDDFRAAMADANGINLDQFALWYSQAGTPVLEAEGRLKNN
IFELTVKQTVPPTPDMTDKQPMMIPVKVGLLNRNGEAVAFDYQGKRATEA
VLLLTEAEQTFLLEGVTEAVVPSLLRGFSAPVHLNYPYSDDDLLLLLAHD
SDAFTRWEAAQTLYRRAVAANLATLSDGVELPKHEKLLAAVEKVISDDLL
DNAFKALLLGVPSEAELWDGAENIDPLRYHQAREALLDTLAVHFLPKWHE
LNRQAAKQENQSYEYSPEAAGWRTLRNVCRAFVLRADPAHIETVAEKYGE
MAQNMTHEWGILSAVNGNESDTRNRLLAQFADKFSDDALVMDKYFALVGS
SRRSDTLQQVRTALQHPKFSLENPNKARSLIGSFSRNVPHFHAEDGSGYR
FIADKVIEIDRFNPQVAARLVQAFNLCNKLEPHRKNLVKQALQRIRAQEG
LSKDVGEIVGKILD
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2gtq Chain A Residue 1001 [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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PDB2gtq Crystal structure of aminopeptidase N from human pathogen Neisseria meningitidis.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		H293 H297 E316
Binding residue
(residue number reindexed from 1)		H290 H294 E313
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E260 H293 E294 H297 E316 N369 Y377
Catalytic site (residue number reindexed from 1) E257 H290 E291 H294 E313 N366 Y374
Enzyme Commision number 3.4.11.2: membrane alanyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2gtq, PDBe:2gtq, PDBj:2gtq
PDBsum2gtq
PubMed17876832
UniProtQ9JYV4

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