eF-site ID 5vmp-D
PDB Code 5vmp
Chain D

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Title Crystal Structure of Human KDM4 with Small Molecule Inhibitor QC5714
Classification OXIDOREDUCTASE/INHIBITOR
Compound Lysine-specific demethylase 4A
Source Homo sapiens (Human) (KDM4A_HUMAN)
Sequence D:  SETLNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGL
AKVVPPKEWKPRASYDDIDDLVIPAPIQQLVTGQSGLFTQ
YNIQKKAMTVREFRKIANSDKYCTPRYSEFEELERKYWKN
LTFNPPIYGADVNGTLYEKHVDEWNIGRLRTILDLVEKES
GVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWY
SVPPEHGKRLERLAKGFFPGSAQSCEAFLRHKMTLISPLM
LKKYGIPFDKVTQEAGEFMITFPYGYHAGFNHGFNCAEST
NFATRRWIEYGKQAVLCSCRVKISMDVFVRKFQPERYKLW
KAGKDNTVIDHTLPTPEAAEF
Description


Functional site

1) chain D
residue 188
type
sequence H
description binding site for residue NI D 501
source : AD1

2) chain D
residue 190
type
sequence E
description binding site for residue NI D 501
source : AD1

3) chain D
residue 276
type
sequence H
description binding site for residue NI D 501
source : AD1

4) chain D
residue 234
type
sequence C
description binding site for residue ZN D 502
source : AD2

5) chain D
residue 240
type
sequence H
description binding site for residue ZN D 502
source : AD2

6) chain D
residue 306
type
sequence C
description binding site for residue ZN D 502
source : AD2

7) chain D
residue 308
type
sequence C
description binding site for residue ZN D 502
source : AD2

8) chain D
residue 86
type
sequence N
description binding site for residue 9FJ D 503
source : AD3

9) chain D
residue 132
type
sequence Y
description binding site for residue 9FJ D 503
source : AD3

10) chain D
residue 184
type
sequence S
description binding site for residue 9FJ D 503
source : AD3

11) chain D
residue 185
type
sequence F
description binding site for residue 9FJ D 503
source : AD3

12) chain D
residue 188
type
sequence H
description binding site for residue 9FJ D 503
source : AD3

13) chain D
residue 206
type
sequence K
description binding site for residue 9FJ D 503
source : AD3

14) chain D
residue 240
type
sequence H
description binding site for residue 9FJ D 503
source : AD3

15) chain D
residue 241
type
sequence K
description binding site for residue 9FJ D 503
source : AD3

16) chain D
residue 276
type
sequence H
description binding site for residue 9FJ D 503
source : AD3

17) chain D
residue 177
type catalytic
sequence Y
description 370
source MCSA : MCSA4

18) chain D
residue 188
type catalytic
sequence H
description 370
source MCSA : MCSA4

19) chain D
residue 190
type catalytic
sequence E
description 370
source MCSA : MCSA4

20) chain D
residue 276
type catalytic
sequence H
description 370
source MCSA : MCSA4

21) chain D
residue 288
type catalytic
sequence S
description 370
source MCSA : MCSA4

22) chain D
residue 132
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:16677698
source Swiss-Prot : SWS_FT_FI1

23) chain D
residue 198
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:16677698
source Swiss-Prot : SWS_FT_FI1

24) chain D
residue 206
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:16677698
source Swiss-Prot : SWS_FT_FI1

25) chain D
residue 188
type BINDING
sequence H
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00538, ECO:0000269|PubMed:16677698, ECO:0000305|PubMed:26741168
source Swiss-Prot : SWS_FT_FI2

26) chain D
residue 276
type BINDING
sequence H
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00538, ECO:0000269|PubMed:16677698, ECO:0000305|PubMed:26741168
source Swiss-Prot : SWS_FT_FI2

27) chain D
residue 190
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:16677698, ECO:0000305|PubMed:26741168
source Swiss-Prot : SWS_FT_FI3

28) chain D
residue 234
type BINDING
sequence C
description BINDING => ECO:0007744|PDB:5F2W, ECO:0007744|PDB:5F32, ECO:0007744|PDB:5F37, ECO:0007744|PDB:5F39, ECO:0007744|PDB:5F3E, ECO:0007744|PDB:5F3G, ECO:0007744|PDB:5F5I
source Swiss-Prot : SWS_FT_FI4

29) chain D
residue 240
type BINDING
sequence H
description BINDING => ECO:0007744|PDB:5F2W, ECO:0007744|PDB:5F32, ECO:0007744|PDB:5F37, ECO:0007744|PDB:5F39, ECO:0007744|PDB:5F3E, ECO:0007744|PDB:5F3G, ECO:0007744|PDB:5F5I
source Swiss-Prot : SWS_FT_FI4

30) chain D
residue 306
type BINDING
sequence C
description BINDING => ECO:0007744|PDB:5F2W, ECO:0007744|PDB:5F32, ECO:0007744|PDB:5F37, ECO:0007744|PDB:5F39, ECO:0007744|PDB:5F3E, ECO:0007744|PDB:5F3G, ECO:0007744|PDB:5F5I
source Swiss-Prot : SWS_FT_FI4

31) chain D
residue 308
type BINDING
sequence C
description BINDING => ECO:0007744|PDB:5F2W, ECO:0007744|PDB:5F32, ECO:0007744|PDB:5F37, ECO:0007744|PDB:5F39, ECO:0007744|PDB:5F3E, ECO:0007744|PDB:5F3G, ECO:0007744|PDB:5F5I
source Swiss-Prot : SWS_FT_FI4

32) chain D
residue 241
type BINDING
sequence K
description BINDING => ECO:0000250|UniProtKB:B2RXH2
source Swiss-Prot : SWS_FT_FI5


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