Structure of PDB 7c6i Chain B Binding Site BS02

Receptor Information
>7c6i Chain B (length=417) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKTLEVWIMPNSPQPAEDFKALVAPFEKAHGVEVKVTVLDWGVAWTKITT
AATSGVGPDLTQLGTTWVGAISAMGVLEPVDDVLEALGGEKAYLPAVWRT
TRLEGARQATAVPWFSELRAFYYRTDALKAAGVNPAEMFASWQGFEAGLA
RLKASSFRDPETKAPLAPLCTPGRTPRTLHNAAPWIWGAGGEIVRQAGGR
WQSALNSPESLEGLYFFLSLAQKGYVPAESLEKNTAQIEADFQAGKCAVF
ASGPWMIQRAQVPEAKGGFAERTAAKNLGVAPYPAGPKGRYTFFGGSNLA
LFNFSKNKPLAKELLKYLGGPEAQVRYAQMTGMLPALRSAWSDPSFQQNP
LLRTFIQAAQFGRTYPSLAGWGGVENLAVQHLGMAWDLVAQGRLTREALK
DLMDKASAAINQALRHH
Ligand information
Ligand IDBU2
InChIInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
InChIKeyPUPZLCDOIYMWBV-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OCCC(O)C
OpenEye OEToolkits 1.5.0C[C@@H](CCO)O
CACTVS 3.341C[CH](O)CCO
CACTVS 3.341C[C@H](O)CCO
OpenEye OEToolkits 1.5.0CC(CCO)O
FormulaC4 H10 O2
Name1,3-BUTANEDIOL
ChEMBLCHEMBL1231501
DrugBankDB02202
ZINCZINC000001867144
PDB chain7c6i Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7c6i Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G190 G191 E192 R195
Binding residue
(residue number reindexed from 1)		G190 G191 E192 R195
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:1901982 maltose binding
Biological Process
GO:0015768 maltose transport
GO:0042956 maltodextrin transmembrane transport
Cellular Component
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

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Molecular Function
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Cellular Component
External links
PDB RCSB:7c6i, PDBe:7c6i, PDBj:7c6i
PDBsum7c6i
PubMed32866452
UniProtQ53W80

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