Structure of PDB 7xuj Chain B Binding Site BS01

Receptor Information
>7xuj Chain B (length=703) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYIVARPVYSTNAFEENHKKTGRHHKTFLDHLKVCCSCSPQKAKRIVLSL
FPIASWLPAYRLKEWLLSDIVSGISTGIVAVLQGLAFALLVDIPPVYGLY
ASFFPAIIYLFFGTSRHISVGPFPILSMMVGLAVSGAVSKAVPDSLLDDE
RVRVAAAASVTVLSGIIQLAFGILRIGFVVIYLSESLISGFTTAAAVHVL
VSQLKFIFQLTVPSHTDPVSIFKVLYSVFSQIEKTNIADLVTALIVLLVV
SIVKEINQRFKDKLPVPIPIEFIMTVIAAGVSYGCDFKNRFKVAVVGDMN
PGFQPPITPDVETFQNTVGDCFGIAMVAFAVAFSVASVYSLKYDYPLDGN
QELIALGLGNIVCGVFRGFAGSTALSRSAVQESTGGKTQIAGLIGAIIVL
IVVLAIGFLLAPLQKSVLAALALGNLKGMLMQFAEIGRLWRKDKYDCLIW
IMTFIFTIVLGLGLGLAASVAFQLLTIVFRTQFPKCSTLANIGRTNIYKN
KKDYYDMYEPEGVKIFRCPSPIYFANIGFFRRKLIDAVGFSPLRILRKRN
KALRKIRKLQKQGLLQVTPKGFICTVDTIKDSDEELDNNQIEVLDQPINT
TDLPFHIDWNDDLPLNIEVPKISLHSLILDFSAVSFLDVSSVRGLKSILQ
EFIRIKVDVYIVGTDDDFIEKLNRYEFFDGEVKSSIFFLTIHDAVLHILM
KKD
Ligand information
Ligand IDI2R
InChIInChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+
InChIKeyBIZNHCWFGNKBBZ-JLHYYAGUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)n2cc(c3c2cccc3)/C=C(\C#N)/C(=O)O
CACTVS 3.385OC(=O)C(=Cc1cn(c2ccccc2)c3ccccc13)C#N
OpenEye OEToolkits 2.0.7c1ccc(cc1)n2cc(c3c2cccc3)C=C(C#N)C(=O)O
CACTVS 3.385OC(=O)\C(=C\c1cn(c2ccccc2)c3ccccc13)C#N
FormulaC18 H12 N2 O2
Name(E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid;
UK-5099
ChEMBLCHEMBL4303684
DrugBank
ZINCZINC000033953893
PDB chain7xuj Chain B Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7xuj human SLC26A3 in complex with UK5099
Resolution2.8 Å
Binding residue
(original residue number in PDB)		V86 Q90 E293 S398 R399 V402 L443 A444 N447
Binding residue
(residue number reindexed from 1)		V79 Q83 E271 S376 R377 V380 L421 A422 N425
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:7xuj, PDBe:7xuj, PDBj:7xuj
PDBsum7xuj
PubMed
UniProtP40879|S26A3_HUMAN Chloride anion exchanger (Gene Name=SLC26A3)

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