Structure of PDB 9f40 Chain D Binding Site BS01
Receptor Information
>9f40 Chain D (length=222) Species:
4932
(Saccharomyces cerevisiae) [
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TATCAMYGNCGKKSVFGNELPCPVPRSFEPPVLSDETSKLLVEVCGEEWK
EVRYACCTKDQVVALRDNLQKAQPLISSCPACLKNFNNLFCHFTCAADQG
RFVNITKVEKSKEDKDIVAELDVFMNSSWASEFYDSCKNIKFSATNGYAM
DLIGGGAKNYSQFLKFLGDAKPMLGGSPFQINYKYDLANEEKEWQEFNDE
VYACDDAQYKCACSDCQESCPH
Ligand information
Ligand ID
MAN
InChI
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKey
WQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341
OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
alpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBL
CHEMBL365590
DrugBank
ZINC
ZINC000003860903
PDB chain
9f40 Chain K Residue 6 [
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Receptor-Ligand Complex Structure
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PDB
9f40
Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
Resolution
2.44 Å
Binding residue
(original residue number in PDB)
T20 A21
Binding residue
(residue number reindexed from 1)
T1 A2
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:9f40
,
PDBe:9f40
,
PDBj:9f40
PDBsum
9f40
PubMed
UniProt
Q12200
|NPC1_YEAST NPC intracellular sterol transporter 1-related protein 1 (Gene Name=NCR1)
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