Structure of PDB 7xuh Chain B Binding Site BS02

Receptor Information
>7xuh Chain B (length=707) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYIVARPVYSTNAFEENHKKTGRHHKTFLDHLKVCCSCSPQKAKRIVLSL
FPIASWLPAYRLKEWLLSDIVSGISTGIVAVLQGLAFALLVDIPPVYGLY
ASFFPAIIYLFFGTSRHISVGPFPILSMMVGLAVSGAVSKAVPDRNNSSL
LDDERVRVAAAASVTVLSGIIQLAFGILRIGFVVIYLSESLISGFTTAAA
VHVLVSQLKFIFQLTVPSHTDPVSIFKVLYSVFSQIEKTNIADLVTALIV
LLVVSIVKEINQRFKDKLPVPIPIEFIMTVIAAGVSYGCDFKNRFKVAVV
GDMNPGFQPPITPDVETFQNTVGDCFGIAMVAFAVAFSVASVYSLKYDYP
LDGNQELIALGLGNIVCGVFRGFAGSTALSRSAVQESTGGKTQIAGLIGA
IIVLIVVLAIGFLLAPLQKSVLAALALGNLKGMLMQFAEIGRLWRKDKYD
CLIWIMTFIFTIVLGLGLGLAASVAFQLLTIVFRTQFPKCSTLANIGRTN
IYKNKKDYYDMYEPEGVKIFRCPSPIYFANIGFFRRKLIDAVGFSPLRIL
RKRNKALRKIRKLQKQGLLQVTPKGFICTVDTIKDSDEELDNNQIEVLDQ
PINTTDLPFHIDWNDDLPLNIEVPKISLHSLILDFSAVSFLDVSSVRGLK
SILQEFIRIKVDVYIVGTDDDFIEKLNRYEFFDGEVKSSIFFLTIHDAVL
HILMKKD
Ligand information
Ligand IDI2L
InChIInChI=1S/C21H17F3O5/c1-11-15-6-7-17(12(2)19(15)29-20(27)16(11)9-18(25)26)28-10-13-4-3-5-14(8-13)21(22,23)24/h3-8H,9-10H2,1-2H3,(H,25,26)
InChIKeyNSSHMSRIOYOKOP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(ccc2c1OC(=O)C(=C2C)CC(=O)O)OCc3cccc(c3)C(F)(F)F
CACTVS 3.385CC1=C(CC(O)=O)C(=O)Oc2c(C)c(OCc3cccc(c3)C(F)(F)F)ccc12
FormulaC21 H17 F3 O5
Name2-[4,8-dimethyl-2-oxidanylidene-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-3-yl]ethanoic acid
ChEMBLCHEMBL4436134
DrugBank
ZINC
PDB chain7xuh Chain B Residue 803 [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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PDB7xuh structure of human SLC26A3 in complex with TQR1122
Resolution2.76 Å
Binding residue
(original residue number in PDB)		P131 I132 L205 I210 F213 V353 S356 S398 M451
Binding residue
(residue number reindexed from 1)		P124 I125 L187 I192 F195 V335 S338 S380 M433
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005452 solute:inorganic anion antiporter activity
GO:0005515 protein binding
GO:0008271 secondary active sulfate transmembrane transporter activity
GO:0015106 bicarbonate transmembrane transporter activity
GO:0015108 chloride transmembrane transporter activity
GO:0015116 sulfate transmembrane transporter activity
GO:0015297 antiporter activity
GO:0019531 oxalate transmembrane transporter activity
GO:0140900 chloride:bicarbonate antiporter activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006820 monoatomic anion transport
GO:0015701 bicarbonate transport
GO:0019532 oxalate transport
GO:0048240 sperm capacitation
GO:0051454 intracellular pH elevation
GO:0055085 transmembrane transport
GO:0060081 membrane hyperpolarization
GO:0071320 cellular response to cAMP
GO:1902358 sulfate transmembrane transport
GO:1902476 chloride transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0031526 brush border membrane
GO:0097225 sperm midpiece

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7xuh, PDBe:7xuh, PDBj:7xuh
PDBsum7xuh
PubMed
UniProtP40879|S26A3_HUMAN Chloride anion exchanger (Gene Name=SLC26A3)

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