|
eF-site ID
|
6aej-A |
PDB Code
|
6aej |
Chain
|
A |
|
click to enlarge
|
|
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
|
|
|
|