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Receptor Information

>7wf3 Chain G (length=328) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RQLQFYRNLGKSGLRVSCLGLGTWVTFGGQITDEMAEQLMTLAYDNGINL
FDTAEVYAAGKAEVVLGNIIKKKGWRRSSLVITTKIFWGGKAETERGLSR
KHIIEGLKASLERLQLEYVDVVFANRPDPNTPMEETVRAMTHVINQGMAM
YWGTSRWSSMEIMEAYSVARQFNLTPPICEQAEYHMFQREKVEVQLPELF
HKIGVGAMTWSPLACGIVSGKYDSGIPPYSRASLKGYQWLKDKILSEEGR
RQQAKLKELQAIAERLGCTLPQLAIAWCLRNEGVSSVLLGASNADQLMEN
IGAIQVLPKLSSSIIHEIDSILGNKPYS

Ligand ID

NAP

InChI

InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChIKey

XJLXINKUBYWONI-NNYOXOHSSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
CACTVS 3.341	NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
CACTVS 3.341	NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0	c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N

Formula

C21 H28 N7 O17 P3

Name

NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE

PDB chain

7wf3 Chain G Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7wf3 Rearrangement of a unique Kv1.3 selectivity filter conformation upon binding of a drug.
Resolution	3.4 Å
Binding residue (original residue number in PDB)	G55 R189 W243 S244 P245 L246 K254 R264 G323 S325 Q329 E332 N333
Binding residue (residue number reindexed from 1)	G22 R156 W210 S211 P212 L213 K221 R231 G290 S292 Q296 E299 N300
Annotation score	1

Enzyme Commision number

1.1.1.-

	Molecular Function
GO:0005249	voltage-gated potassium channel activity

	Biological Process
GO:0006813	potassium ion transport
GO:0055085	transmembrane transport

	Cellular Component
GO:0005737	cytoplasm
GO:0016020	membrane

PDB	RCSB:7wf3, PDBe:7wf3, PDBj:7wf3
PDBsum	7wf3
PubMed	35091471
UniProt	Q13303\|KCAB2_HUMAN Voltage-gated potassium channel subunit beta-2 (Gene Name=KCNAB2)

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Structure of PDB 7wf3 Chain G Binding Site BS01