|
|
eF-site ID
|
3n0b-D |
|
PDB Code
|
3n0b |
|
Chain
|
D |
|
click to enlarge
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Title
|
TM0449 mutant crystals grown in loops/micromounts |
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Classification
|
TRANSFERASE |
|
Compound
|
Thymidylate synthase thyX |
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Source
|
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) (THYX_THEMA) |
|
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Sequence
|
D: |
MKIDILDKGFVELVDVMGNDLSAVRAARVSFDEERDRHLI
EYLMKHGHETPFEHIVFTFHVKAPIFVARQWFRHRIASYN
ELSGRYSKLSYEFYIPSPERLEGYKTTIPPERVTEKISEI
VDKAYRTYLELIESGVPREVARIVLPLNLYTRAFATVNAR
SLMNFLNLRADSHAQWEIQQYALAIARIFKEKCPWTFEAF
LKYAYKGDIL
|
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Description
|
|
Functional site
|
|
|
1)
|
chain |
D |
| residue |
78 |
| type |
|
| sequence |
R
|
| description |
BINDING SITE FOR RESIDUE FAD D 300
|
| source |
: AC1
|
|
|
2)
|
chain |
D |
| residue |
79 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE FAD D 300
|
| source |
: AC1
|
|
|
3)
|
chain |
D |
| residue |
80 |
| type |
|
| sequence |
R
|
| description |
BINDING SITE FOR RESIDUE FAD D 300
|
| source |
: AC1
|
|
|
4)
|
chain |
D |
| residue |
81 |
| type |
|
| sequence |
I
|
| description |
BINDING SITE FOR RESIDUE FAD D 300
|
| source |
: AC1
|
|
|
5)
|
chain |
D |
| residue |
169 |
| type |
|
| sequence |
N
|
| description |
BINDING SITE FOR RESIDUE FAD D 300
|
| source |
: AC1
|
|
|
6)
|
chain |
D |
| residue |
173 |
| type |
|
| sequence |
L
|
| description |
BINDING SITE FOR RESIDUE FAD D 300
|
| source |
: AC1
|
|
|
7)
|
chain |
D |
| residue |
174 |
| type |
|
| sequence |
R
|
| description |
BINDING SITE FOR RESIDUE FAD D 300
|
| source |
: AC1
|
|
|
8)
|
chain |
D |
| residue |
178 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE FAD D 300
|
| source |
: AC1
|
|
|
9)
|
chain |
D |
| residue |
75 |
| type |
|
| sequence |
Q
|
| description |
BINDING SITE FOR RESIDUE UMP A 303
|
| source |
: AC2
|
|
|
10)
|
chain |
D |
| residue |
78 |
| type |
|
| sequence |
R
|
| description |
BINDING SITE FOR RESIDUE UMP A 303
|
| source |
: AC2
|
|
|
11)
|
chain |
D |
| residue |
174 |
| type |
|
| sequence |
R
|
| description |
BINDING SITE FOR RESIDUE UMP A 303
|
| source |
: AC2
|
|
|
12)
|
chain |
D |
| residue |
55 |
| type |
|
| sequence |
T
|
| description |
BINDING SITE FOR RESIDUE FAD B 310
|
| source |
: AC5
|
|
|
13)
|
chain |
D |
| residue |
58 |
| type |
|
| sequence |
E
|
| description |
BINDING SITE FOR RESIDUE FAD B 310
|
| source |
: AC5
|
|
|
14)
|
chain |
D |
| residue |
81 |
| type |
|
| sequence |
I
|
| description |
BINDING SITE FOR RESIDUE FAD B 310
|
| source |
: AC5
|
|
|
15)
|
chain |
D |
| residue |
163 |
| type |
|
| sequence |
N
|
| description |
BINDING SITE FOR RESIDUE FAD B 310
|
| source |
: AC5
|
|
|
16)
|
chain |
D |
| residue |
165 |
| type |
|
| sequence |
R
|
| description |
BINDING SITE FOR RESIDUE FAD B 310
|
| source |
: AC5
|
|
|
17)
|
chain |
D |
| residue |
85 |
| type |
|
| sequence |
N
|
| description |
BINDING SITE FOR RESIDUE FAD A 315
|
| source |
: AC7
|
|
|
18)
|
chain |
D |
| residue |
86 |
| type |
|
| sequence |
E
|
| description |
BINDING SITE FOR RESIDUE FAD A 315
|
| source |
: AC7
|
|
|
19)
|
chain |
D |
| residue |
88 |
| type |
|
| sequence |
S
|
| description |
BINDING SITE FOR RESIDUE FAD A 315
|
| source |
: AC7
|
|
|
20)
|
chain |
D |
| residue |
86 |
| type |
|
| sequence |
E
|
| description |
BINDING SITE FOR RESIDUE UMP D 318
|
| source |
: AC8
|
|
|
21)
|
chain |
D |
| residue |
87 |
| type |
|
| sequence |
L
|
| description |
BINDING SITE FOR RESIDUE UMP D 318
|
| source |
: AC8
|
|
|
22)
|
chain |
D |
| residue |
88 |
| type |
|
| sequence |
S
|
| description |
BINDING SITE FOR RESIDUE UMP D 318
|
| source |
: AC8
|
|
|
23)
|
chain |
D |
| residue |
89 |
| type |
|
| sequence |
G
|
| description |
BINDING SITE FOR RESIDUE UMP D 318
|
| source |
: AC8
|
|
|
24)
|
chain |
D |
| residue |
90 |
| type |
|
| sequence |
R
|
| description |
BINDING SITE FOR RESIDUE UMP D 318
|
| source |
: AC8
|
|
|
25)
|
chain |
D |
| residue |
147 |
| type |
|
| sequence |
R
|
| description |
BINDING SITE FOR RESIDUE UMP D 318
|
| source |
: AC8
|
|
|
26)
|
chain |
D |
| residue |
174 |
| type |
ACT_SITE |
| sequence |
R
|
| description |
Involved in ionization of N3 of dUMP, leading to its activation => ECO:0000269|PubMed:27214228
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
27)
|
chain |
D |
| residue |
75 |
| type |
BINDING |
| sequence |
Q
|
| description |
BINDING => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GT9, ECO:0007744|PDB:4KAS
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
28)
|
chain |
D |
| residue |
174 |
| type |
BINDING |
| sequence |
R
|
| description |
BINDING => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GT9, ECO:0007744|PDB:4KAS
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
29)
|
chain |
D |
| residue |
147 |
| type |
BINDING |
| sequence |
R
|
| description |
in other chain => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GT9, ECO:0007744|PDB:4KAS
|
| source |
Swiss-Prot : SWS_FT_FI5
|
|
|
30)
|
chain |
D |
| residue |
55 |
| type |
BINDING |
| sequence |
T
|
| description |
BINDING => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
31)
|
chain |
D |
| residue |
78 |
| type |
BINDING |
| sequence |
R
|
| description |
BINDING => ECO:0000269|PubMed:12211025, ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1KQ4, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW
|
| source |
Swiss-Prot : SWS_FT_FI4
|
|
|
32)
|
chain |
D |
| residue |
86 |
| type |
BINDING |
| sequence |
E
|
| description |
BINDING => ECO:0000269|PubMed:12211025, ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1KQ4, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW
|
| source |
Swiss-Prot : SWS_FT_FI4
|
|
|
33)
|
chain |
D |
| residue |
163 |
| type |
BINDING |
| sequence |
N
|
| description |
BINDING => ECO:0000269|PubMed:12211025, ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1KQ4, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW
|
| source |
Swiss-Prot : SWS_FT_FI4
|
|
|
34)
|
chain |
D |
| residue |
169 |
| type |
BINDING |
| sequence |
N
|
| description |
BINDING => ECO:0000269|PubMed:12211025, ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1KQ4, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW
|
| source |
Swiss-Prot : SWS_FT_FI4
|
|
|
|