Structure of PDB 7gas Chain A Binding Site BS01

Receptor Information
>7gas Chain A (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTFKQRRTFEQRVEDVRLIREQHPTKIPVIIERYKGEKQLPVLDKTKFLV
PDHVNMSELIKIIRRRLQLNANQAFFLLVNGHSMVSVSTPISEVYESEKD
EDGFLYMVYASQETF
Ligand information
Ligand IDKBU
InChIInChI=1S/C7H5ClN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)
InChIKeyRPYPMOKNVPZWKZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(c(c1)Cl)nc[nH]2
ACDLabs 12.01Clc1cccc2[NH]cnc21
CACTVS 3.385Clc1cccc2[nH]cnc12
FormulaC7 H5 Cl N2
Name4-chloro-1H-benzimidazole
ChEMBL
DrugBank
ZINC
PDB chain7gas Chain A Residue 201 [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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PDB7gas PanDDA analysis group deposition
Resolution1.91 Å
Binding residue
(original residue number in PDB)		F52 V54 L63 I66 I67 R70
Binding residue
(residue number reindexed from 1)		F48 V50 L59 I62 I63 R66
Annotation score1
External links
PDB RCSB:7gas, PDBe:7gas, PDBj:7gas
PDBsum7gas
PubMed
UniProtQ9GZQ8|MLP3B_HUMAN Microtubule-associated proteins 1A/1B light chain 3B (Gene Name=MAP1LC3B)

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