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5FP3

Cell penetrant inhibitors of the JMJD2 (KDM4) and JARID1 (KDM5) families of histone lysine demethylases

Functional Information from GO Data
ChainGOidnamespacecontents
A0005634cellular_componentnucleus
A0046872molecular_functionmetal ion binding
A0071557biological_processhistone H3-K27 demethylation
A0071558molecular_functionhistone H3-tri/di-methyl-lysine-27 demethylase activity
B0005634cellular_componentnucleus
B0046872molecular_functionmetal ion binding
B0071557biological_processhistone H3-K27 demethylation
B0071558molecular_functionhistone H3-tri/di-methyl-lysine-27 demethylase activity
Functional Information from PDB Data
site_idAC1
Number of Residues17
DetailsBINDING SITE FOR RESIDUE 3JI A 1
ChainResidue
AARG1246
AASN1400
ATRP1410
AHIS1470
AHOH2002
AHOH2003
ABCN2640
ABCN2641
ACO3000
AGLN1248
ATHR1330
ATYR1379
ALYS1381
AARG1386
ATHR1387
APRO1388
AHIS1390

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 2000
ChainResidue
ACYS1575
ACYS1578
ACYS1602
ACYS1605

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE MG A 2639
ChainResidue
AGLU1415
AGLU1498
AHOH2247
AHOH2248
AHOH2291
AHOH2295
AHOH2458
AHOH2459

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE BCN A 2640
ChainResidue
AYC81
AARG1246
ALEU1433
AGLY1435
AHOH2222
AHOH2268
ABCN2641
AMG2642

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE BCN A 2641
ChainResidue
AYC81
AHIS1390
AGLN1391
AASN1393
ABCN2640
AMG2642

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG A 2642
ChainResidue
ABCN2640
ABCN2641

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CO A 3000
ChainResidue
AYC81
AHIS1390
AGLU1392
AHIS1470
AHOH2002
AHOH2003

site_idAC8
Number of Residues18
DetailsBINDING SITE FOR RESIDUE 3JI B 1
ChainResidue
BARG1246
BGLN1248
BSER1270
BTHR1330
BTYR1379
BLYS1381
BARG1386
BTHR1387
BPRO1388
BHIS1390
BASN1400
BTRP1410
BHIS1470
BHOH2001
BHOH2002
BBCN2640
BBCN2641
BCO3000

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 2000
ChainResidue
BCYS1575
BCYS1578
BCYS1602
BCYS1605

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE MG B 2639
ChainResidue
BGLU1415
BGLU1498
BHOH2187
BHOH2188
BHOH2232
BHOH2345
BHOH2346
BHOH2347

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE BCN B 2640
ChainResidue
BYC81
BARG1246
BPRO1388
BTHR1434
BHOH2172
BBCN2641
BMG2642

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE BCN B 2641
ChainResidue
BYC81
BHIS1390
BILE1511
BHOH2172
BHOH2205
BBCN2640
BMG2642

site_idBC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG B 2642
ChainResidue
BBCN2640
BBCN2641

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CO B 3000
ChainResidue
BGLU1392
BHIS1470
BHOH2001
BHOH2002
BYC81
BHIS1390

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000305
ChainResidueDetails
AHIS1390
AGLU1392
BHIS1390
BGLU1392

site_idSWS_FT_FI2
Number of Residues10
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:O14607
ChainResidueDetails
AHIS1470
BCYS1605
ACYS1575
ACYS1578
ACYS1602
ACYS1605
BHIS1470
BCYS1575
BCYS1578
BCYS1602

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PDB entries from 2024-07-17

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