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BioLiP

Structure of PDB 9f40 Chain D Binding Site BS04

Receptor Information
>9f40 Chain D (length=222) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TATCAMYGNCGKKSVFGNELPCPVPRSFEPPVLSDETSKLLVEVCGEEWK
EVRYACCTKDQVVALRDNLQKAQPLISSCPACLKNFNNLFCHFTCAADQG
RFVNITKVEKSKEDKDIVAELDVFMNSSWASEFYDSCKNIKFSATNGYAM
DLIGGGAKNYSQFLKFLGDAKPMLGGSPFQINYKYDLANEEKEWQEFNDE
VYACDDAQYKCACSDCQESCPH
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 chain9f40 Chain D Residue 303 [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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PDB9f40 Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
Resolution2.44 Å
Binding residue
(original residue number in PDB)		E67 N107 H111 D218
Binding residue
(residue number reindexed from 1)		E48 N88 H92 D199
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:9f40, PDBe:9f40, PDBj:9f40
PDBsum9f40
PubMed
UniProtQ12200|NPC1_YEAST NPC intracellular sterol transporter 1-related protein 1 (Gene Name=NCR1)

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