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

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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 B:  SETLNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGL
AKVVPPKEWKPRASYDDIDDLVIPAPIQQLVTGQSGLFTQ
YNIQKKAMTVREFRKIANSDKYCTPRYSEFEELERKYWKN
LTFNPPIYGADVNGTLYEKHVDEWNIGRLRTILDLVEKES
GITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGE
PKSWYSVPPEHGKRLERLAKGFFPGSAQSCEAFLRHKMTL
ISPLMLKKYGIPFDKVTQEAGEFMITFPYGYHAGFNHGFN
CAESTNFATRRWIEYGKQAVLCSCRVKISMDVFVRKFQPE
RYKLWKAGKDNTVIDHTLPTPEAAEFL
Description


Functional site

1) chain B
residue 188
type
sequence H
description binding site for residue NI B 501
source : AC4

2) chain B
residue 190
type
sequence E
description binding site for residue NI B 501
source : AC4

3) chain B
residue 276
type
sequence H
description binding site for residue NI B 501
source : AC4

4) chain B
residue 234
type
sequence C
description binding site for residue ZN B 502
source : AC5

5) chain B
residue 240
type
sequence H
description binding site for residue ZN B 502
source : AC5

6) chain B
residue 306
type
sequence C
description binding site for residue ZN B 502
source : AC5

7) chain B
residue 308
type
sequence C
description binding site for residue ZN B 502
source : AC5

8) chain B
residue 86
type
sequence N
description binding site for residue 9FJ B 503
source : AC6

9) chain B
residue 132
type
sequence Y
description binding site for residue 9FJ B 503
source : AC6

10) chain B
residue 184
type
sequence S
description binding site for residue 9FJ B 503
source : AC6

11) chain B
residue 185
type
sequence F
description binding site for residue 9FJ B 503
source : AC6

12) chain B
residue 188
type
sequence H
description binding site for residue 9FJ B 503
source : AC6

13) chain B
residue 198
type
sequence N
description binding site for residue 9FJ B 503
source : AC6

14) chain B
residue 206
type
sequence K
description binding site for residue 9FJ B 503
source : AC6

15) chain B
residue 240
type
sequence H
description binding site for residue 9FJ B 503
source : AC6

16) chain B
residue 241
type
sequence K
description binding site for residue 9FJ B 503
source : AC6

17) chain B
residue 276
type
sequence H
description binding site for residue 9FJ B 503
source : AC6

18) chain B
residue 170
type catalytic
sequence G
description 370
source MCSA : MCSA2

19) chain B
residue 177
type catalytic
sequence Y
description 370
source MCSA : MCSA2

20) chain B
residue 188
type catalytic
sequence H
description 370
source MCSA : MCSA2

21) chain B
residue 190
type catalytic
sequence E
description 370
source MCSA : MCSA2

22) chain B
residue 276
type catalytic
sequence H
description 370
source MCSA : MCSA2

23) chain B
residue 288
type catalytic
sequence S
description 370
source MCSA : MCSA2

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

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

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

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

28) chain B
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

29) chain B
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

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

31) chain B
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

32) chain B
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

33) chain B
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

34) chain B
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


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