eF-site ID 6aej-A
PDB Code 6aej
Chain A

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Title Crystal structure of human FTO in complex with small-molecule inhibitors
Classification OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Compound Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO
Source (FTO_HUMAN)
Sequence A:  RGSHMTPKDDEFYQQWQLKYPKLILREASSVSEELHKEVQ
EAFLTLHKHGCLFRDLVRIQGKDLLTPVSRILIGNPGCTY
KYLNTRLFTVPWPVKEAEIAAACETFLKLNDYLQIETIQA
LEELAADIKSRAAYNVTLLNFMDPQKMPYLKEEPYFGMGK
MAVSWHHDENLVDRSAVAVYSYSCEGRDPDIWHVGFKISW
DIETPGLAIPLHQGDCYFMLDDLNATHQHCVLAGSQPRFS
STHRVAECSTGTLDYILQRCQLALQNVCDDVDNDDVSLKS
FEPAVLKQGEEIHNEVEFEWLRQFWFQGNRYRKCTDWWCQ
PMAQLEALWKKMEGVTNAVLHEVKREGLPVEQRNEILTAI
LASLTARQNLRREWHARCQSRIARTLPADQKPECRPYWEK
DDASMPLPFDLTDIVSELRGQ
Description


Functional site

1) chain A
residue 96
type
sequence R
description binding site for residue 7YC A 601
source : AC1

2) chain A
residue 106
type
sequence Y
description binding site for residue 7YC A 601
source : AC1

3) chain A
residue 108
type
sequence Y
description binding site for residue 7YC A 601
source : AC1

4) chain A
residue 205
type
sequence N
description binding site for residue 7YC A 601
source : AC1

5) chain A
residue 228
type
sequence V
description binding site for residue 7YC A 601
source : AC1

6) chain A
residue 231
type
sequence H
description binding site for residue 7YC A 601
source : AC1

7) chain A
residue 232
type
sequence H
description binding site for residue 7YC A 601
source : AC1

8) chain A
residue 233
type
sequence D
description binding site for residue 7YC A 601
source : AC1

9) chain A
residue 234
type
sequence E
description binding site for residue 7YC A 601
source : AC1

10) chain A
residue 295
type
sequence Y
description binding site for residue 7YC A 601
source : AC1

11) chain A
residue 307
type
sequence H
description binding site for residue 7YC A 601
source : AC1

12) chain A
residue 309
type
sequence V
description binding site for residue 7YC A 601
source : AC1

13) chain A
residue 316
type
sequence R
description binding site for residue 7YC A 601
source : AC1

14) chain A
residue 318
type
sequence S
description binding site for residue 7YC A 601
source : AC1

15) chain A
residue 320
type
sequence T
description binding site for residue 7YC A 601
source : AC1

16) chain A
residue 322
type
sequence R
description binding site for residue 7YC A 601
source : AC1

17) chain A
residue 231
type
sequence H
description binding site for residue ZN A 602
source : AC2

18) chain A
residue 233
type
sequence D
description binding site for residue ZN A 602
source : AC2

19) chain A
residue 307
type
sequence H
description binding site for residue ZN A 602
source : AC2

20) chain A
residue 233
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:20376003, ECO:0000305|PubMed:23547775, ECO:0000305|PubMed:25452335, ECO:0000305|PubMed:26457839, ECO:0000305|PubMed:28553460, ECO:0007744|PDB:3LFM, ECO:0007744|PDB:4CXW, ECO:0007744|PDB:4CXX, ECO:0007744|PDB:4CXY, ECO:0007744|PDB:4IDZ, ECO:0007744|PDB:4IE0, ECO:0007744|PDB:4IE4, ECO:0007744|PDB:4IE5, ECO:0007744|PDB:4IE6, ECO:0007744|PDB:4IE7, ECO:0007744|PDB:4QKN, ECO:0007744|PDB:4ZS2, ECO:0007744|PDB:4ZS3
source Swiss-Prot : SWS_FT_FI4

21) chain A
residue 307
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:20376003, ECO:0000305|PubMed:23547775, ECO:0000305|PubMed:25452335, ECO:0000305|PubMed:26457839, ECO:0000305|PubMed:28553460, ECO:0007744|PDB:3LFM, ECO:0007744|PDB:4CXW, ECO:0007744|PDB:4CXX, ECO:0007744|PDB:4CXY, ECO:0007744|PDB:4IDZ, ECO:0007744|PDB:4IE0, ECO:0007744|PDB:4IE4, ECO:0007744|PDB:4IE5, ECO:0007744|PDB:4IE6, ECO:0007744|PDB:4IE7, ECO:0007744|PDB:4QKN, ECO:0007744|PDB:4ZS2, ECO:0007744|PDB:4ZS3
source Swiss-Prot : SWS_FT_FI4

22) chain A
residue 216
type MOD_RES
sequence K
description N6-acetyllysine => ECO:0007744|PubMed:19608861
source Swiss-Prot : SWS_FT_FI7

23) chain A
residue 231
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:20376003, ECO:0000269|PubMed:25452335, ECO:0000305|PubMed:23547775, ECO:0000305|PubMed:25452335, ECO:0000305|PubMed:26457839, ECO:0000305|PubMed:28553460, ECO:0007744|PDB:3LFM, ECO:0007744|PDB:4CXW, ECO:0007744|PDB:4CXX, ECO:0007744|PDB:4CXY, ECO:0007744|PDB:4IDZ, ECO:0007744|PDB:4IE0, ECO:0007744|PDB:4IE4, ECO:0007744|PDB:4IE5, ECO:0007744|PDB:4IE6, ECO:0007744|PDB:4IE7, ECO:0007744|PDB:4QKN, ECO:0007744|PDB:4ZS2, ECO:0007744|PDB:4ZS3
source Swiss-Prot : SWS_FT_FI3

24) chain A
residue 96
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:20376003, ECO:0007744|PDB:3LFM
source Swiss-Prot : SWS_FT_FI1

25) chain A
residue 108
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:20376003, ECO:0007744|PDB:3LFM
source Swiss-Prot : SWS_FT_FI1

26) chain A
residue 320
type BINDING
sequence T
description BINDING => ECO:0000269|PubMed:20376003, ECO:0007744|PDB:3LFM
source Swiss-Prot : SWS_FT_FI1

27) chain A
residue 205
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:20376003, ECO:0000269|PubMed:25452335, ECO:0007744|PDB:3LFM, ECO:0007744|PDB:4QKN
source Swiss-Prot : SWS_FT_FI2

28) chain A
residue 295
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:20376003, ECO:0000269|PubMed:25452335, ECO:0000269|PubMed:26457839, ECO:0007744|PDB:3LFM, ECO:0007744|PDB:4QKN, ECO:0007744|PDB:4ZS2, ECO:0007744|PDB:4ZS3
source Swiss-Prot : SWS_FT_FI5

29) chain A
residue 316
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:20376003, ECO:0000269|PubMed:25452335, ECO:0000269|PubMed:26457839, ECO:0007744|PDB:3LFM, ECO:0007744|PDB:4QKN, ECO:0007744|PDB:4ZS2, ECO:0007744|PDB:4ZS3
source Swiss-Prot : SWS_FT_FI5

30) chain A
residue 322
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:20376003, ECO:0000269|PubMed:25452335, ECO:0000269|PubMed:26457839, ECO:0007744|PDB:3LFM, ECO:0007744|PDB:4QKN, ECO:0007744|PDB:4ZS2
source Swiss-Prot : SWS_FT_FI6


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