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6UF0

Crystal structure of N-(4-((4-methoxy-N-(2,2,2-trifluoroethyl)phenyl)sulfonamido)isoquinolin-1-yl)-N-((4-methoxyphenyl)sulfonyl)glycine bound to human Keap1 Kelch domain

Functional Information from GO Data
ChainGOidnamespacecontents
A0008134molecular_functiontranscription factor binding
A0016567biological_processprotein ubiquitination
A0031463cellular_componentCul3-RING ubiquitin ligase complex
B0008134molecular_functiontranscription factor binding
B0016567biological_processprotein ubiquitination
B0031463cellular_componentCul3-RING ubiquitin ligase complex
Functional Information from PDB Data
site_idAC1
Number of Residues19
Detailsbinding site for residue Q5V A 701
ChainResidue
ATYR334
AGLY509
ATYR525
ASER555
AALA556
APHE577
ASER602
AGLY603
AHOH907
BARG447
BHOH924
ASER363
AARG380
AASN414
AARG415
AILE461
APHE478
AARG483
ASER508

site_idAC2
Number of Residues3
Detailsbinding site for residue FMT A 702
ChainResidue
AARG326
AHIS562
AGLN563

site_idAC3
Number of Residues5
Detailsbinding site for residue FMT A 703
ChainResidue
ATYR491
APRO492
AGLU493
AARG494
AHOH858

site_idAC4
Number of Residues3
Detailsbinding site for residue DMS A 704
ChainResidue
AGLU496
BPRO398
BMET399

site_idAC5
Number of Residues3
Detailsbinding site for residue FMT A 705
ChainResidue
AARG483
AGLY527
AHOH830

site_idAC6
Number of Residues4
Detailsbinding site for residue FMT A 706
ChainResidue
AILE421
AASP422
AARG470
AHOH903

site_idAC7
Number of Residues3
Detailsbinding site for residue FMT A 707
ChainResidue
APRO398
AMET399
BGLU496

site_idAC8
Number of Residues5
Detailsbinding site for residue FMT A 708
ChainResidue
AGLY367
AVAL606
AHOH824
AHOH838
AHOH840

site_idAC9
Number of Residues4
Detailsbinding site for residue NA A 709
ChainResidue
AVAL465
AVAL512
AHOH824
AHOH825

site_idAD1
Number of Residues18
Detailsbinding site for residue Q5Y B 701
ChainResidue
BTYR334
BARG336
BSER363
BASN382
BPRO384
BASN414
BARG415
BSER508
BGLY509
BTYR525
BGLN530
BSER555
BTYR572
BPHE577
BSER602
BGLY603
BHOH822
BHOH874

site_idAD2
Number of Residues5
Detailsbinding site for residue FMT B 702
ChainResidue
BTYR491
BPRO492
BGLU493
BARG494
BHOH859

site_idAD3
Number of Residues4
Detailsbinding site for residue FMT B 703
ChainResidue
BARG326
BHIS562
BGLN563
BHOH804

site_idAD4
Number of Residues5
Detailsbinding site for residue NA B 704
ChainResidue
BVAL465
BVAL512
BHOH863
BHOH871
BHOH918

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsSITE: Sensor for electrophilic agents => ECO:0000250|UniProtKB:Q9Z2X8
ChainResidueDetails
ACYS434
BCYS434

site_idSWS_FT_FI2
Number of Residues2
DetailsMOD_RES: S-cGMP-cysteine => ECO:0000250|UniProtKB:Q9Z2X8
ChainResidueDetails
ACYS434
BCYS434

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PDB entries from 2024-06-12

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