|
|
eF-site ID
|
3d6f-B |
|
PDB Code
|
3d6f |
|
Chain
|
B |
|
click to enlarge
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Title
|
Crystal structure of human caspase-1 with a naturally-occurring Arg240->Gln substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) |
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Classification
|
HYDROLASE/HYDROLASE INHIBITOR |
|
Compound
|
Caspase-1 |
|
Source
|
null (3D6F) |
|
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Sequence
|
B: |
AIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEH
MQEYACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTR
CFYLFPGH
|
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Description
|
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Functional site
|
|
|
1)
|
chain |
B |
| residue |
339 |
| type |
|
| sequence |
S
|
| description |
BINDING SITE FOR CHAIN C OF N-[(BENZYLOXY)CARBONYL]-L-VALYL-N-[(2S)-1-CARBOXY-4-FLUORO- 3-OXOBUTAN-2-YL]-L-ALANINAMIDE
|
| source |
: AC1
|
|
|
2)
|
chain |
B |
| residue |
340 |
| type |
|
| sequence |
W
|
| description |
BINDING SITE FOR CHAIN C OF N-[(BENZYLOXY)CARBONYL]-L-VALYL-N-[(2S)-1-CARBOXY-4-FLUORO- 3-OXOBUTAN-2-YL]-L-ALANINAMIDE
|
| source |
: AC1
|
|
|
3)
|
chain |
B |
| residue |
341 |
| type |
|
| sequence |
R
|
| description |
BINDING SITE FOR CHAIN C OF N-[(BENZYLOXY)CARBONYL]-L-VALYL-N-[(2S)-1-CARBOXY-4-FLUORO- 3-OXOBUTAN-2-YL]-L-ALANINAMIDE
|
| source |
: AC1
|
|
|
4)
|
chain |
B |
| residue |
342 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR CHAIN C OF N-[(BENZYLOXY)CARBONYL]-L-VALYL-N-[(2S)-1-CARBOXY-4-FLUORO- 3-OXOBUTAN-2-YL]-L-ALANINAMIDE
|
| source |
: AC1
|
|
|
5)
|
chain |
B |
| residue |
390 |
| type |
catalytic |
| sequence |
E
|
| description |
718
|
| source |
MCSA : MCSA1
|
|
|
|