Structure of PDB 8vjw Chain A Binding Site BS03

Receptor Information
>8vjw Chain A (length=665) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSYTVAGRNVLRWDLSPEQIKTRTEELIVQTKQVYDAVGMLGIEEVTYEN
CLQALADVEVKYIVERTMLDFPQHVSSDKEVRAASTEADKRLSRFDIEMS
MRGDIFERIVHLQETCDLGKIKPEARRYLEKSIKMGKRNGLHLPEQVQNE
IKSMKKRMSELCIDFNKNLNEDDTFLVFSKAELGALPDDFIDSLEKTDDD
KYKITLKYPHYFPVMKKCCIPETRRRMEMAFNTRCKEENTIILQQLLPLR
TKVAKLLGYSTHADFVLEMNTAKSTSRVTAFLDDLSQKLKPLGEAEREFI
LNLKKKECKDRGFEYDGKINAWDLYYYMTQTEELKYSIDQEFLKEYFPIE
VVTEGLLNTYQELLGLSFEQMTDAHVWNKSVTLYTVKDKATGEVLGQFYL
DLYPREGKYNHAACFGLQPGCLLPDGSRMMAVAALVVNFSQPVAGRPSLL
RHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVW
DVDSLRRLSKHYKDGSPIADDLLEKLVASRLVNTGLLTLRQIVLSKVDQS
LHTNTSLDAASEYAKYCSEILGVAATPGTNMPATFGHLAGGYDGQYYGYL
WSEVFSMDMFYSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLHNFLK
REPNQKAFLMSRGLH
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 chain8vjw 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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PDB8vjw Structural basis of divergent substrate recognition and inhibition of human neurolysin.
Resolution2.491 Å
Binding residue
(original residue number in PDB)		H474 H478 E503
Binding residue
(residue number reindexed from 1)		H460 H464 E489
Annotation score4
External links
PDB RCSB:8vjw, PDBe:8vjw, PDBj:8vjw
PDBsum8vjw
PubMed39117724
UniProtQ9BYT8|NEUL_HUMAN Neurolysin, mitochondrial (Gene Name=NLN)

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