4ZVR: Caspase-7
Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to DEVD inhibitor. Determined by X-ray diffraction at 2.3 Å resolution. Released 20 Apr 2016.
- Method
- X-ray diffraction
- Resolution
- 2.3 Å
- Organisms
- Homo sapiens, synthetic construct
- Chains
- 6
- Atoms
- 3,907
- Mol. weight
- 71.63 kDa
- Released
- 20 Apr 2016
Explore 4ZVR in 3D
Show helices and sheets
RCSB PDB
PDBe
Secondary structure: helices and β-sheets
4ZVR contains 16 α-helices and 44 β-strands across 6 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
Chain A: 5 helices, 13 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 59 | 1 | 1 |
| β-strand | 66 | 1 | 2 |
| β-strand | 68-74 | 7 | 3 |
| α-helix | 80-82 | 3 | |
| α-helix | 90-104 | 15 | |
| β-strand | 106-112 | 7 | 3 |
| α-helix | 116-127 | 12 | |
| β-strand | 134 | 1 | 2 |
| β-strand | 137-142 | 6 | 3 |
| β-strand | 145-146 | 2 | 4 |
| β-strand | 149-151 | 3 | 4 |
| β-strand | 156-158 | 3 | 4 |
| α-helix | 159-164 | 6 | |
| α-helix | 172-174 | 3 | |
| β-strand | 179-184 | 6 | 3 |
| β-strand | 190 | 1 | 5 |
| β-strand | 192 | 1 | 6 |
| β-strand | 195 | 1 | 7 |
Chain B: 3 helices, 8 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 213 | 1 | 8 |
| β-strand | 219-223 | 5 | 3 |
| β-strand | 229 | 1 | 5 |
| β-strand | 232-234 | 3 | 9 |
| β-strand | 238-239 | 2 | 9 |
| α-helix | 240-252 | 13 | |
| α-helix | 258-272 | 15 | |
| α-helix | 280-282 | 3 | |
| β-strand | 286 | 1 | 6 |
| β-strand | 290-293 | 4 | 3 |
| β-strand | 298 | 1 | 1 |
Chain C: 5 helices, 13 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 359 | 1 | 10 |
| β-strand | 366 | 1 | 11 |
| β-strand | 368-374 | 7 | 3 |
| α-helix | 380-382 | 3 | |
| α-helix | 390-404 | 15 | |
| β-strand | 406-412 | 7 | 3 |
| α-helix | 416-427 | 12 | |
| β-strand | 434 | 1 | 11 |
| β-strand | 437-442 | 6 | 3 |
| β-strand | 445-446 | 2 | 12 |
| β-strand | 449-451 | 3 | 12 |
| β-strand | 456-458 | 3 | 12 |
| α-helix | 459-464 | 6 | |
| α-helix | 472-474 | 3 | |
| β-strand | 479-484 | 6 | 3 |
| β-strand | 490 | 1 | 13 |
| β-strand | 492 | 1 | 14 |
| β-strand | 495 | 1 | 8 |
Chain D: 3 helices, 8 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 513 | 1 | 7 |
| β-strand | 519-523 | 5 | 3 |
| β-strand | 529 | 1 | 13 |
| β-strand | 532-534 | 3 | 15 |
| β-strand | 538-539 | 2 | 15 |
| α-helix | 540-552 | 13 | |
| α-helix | 558-572 | 15 | |
| α-helix | 580-582 | 3 | |
| β-strand | 586 | 1 | 14 |
| β-strand | 590-593 | 4 | 3 |
| β-strand | 598 | 1 | 10 |
Chain E: 0 helices, 1 β-strand
| Element | Residues | Length | Sheet |
|---|
| β-strand | 703-704 | 2 | 9 |
Chain F: 0 helices, 1 β-strand
| Element | Residues | Length | Sheet |
|---|
| β-strand | 803-804 | 2 | 15 |
Molecules and chains
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|
| Caspase-7 | A, C | protein | 198 | Homo sapiens | P55210 (AlphaFold model) |
| Caspase-7 | B, D | protein | 113 | Homo sapiens | P55210 (AlphaFold model) |
| Peptide ACE-ASP-GLU-VAL-ASJ | E, F | protein | 5 | synthetic construct | |
Sequence of entity 1 (A, C), FASTA
>4ZVR_1 Caspase-7 (chains A, C)
MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQY
NMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQ
DLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKL
FFIQACRGTELDDGIQAD
Sequence of entity 2 (B, D), FASTA
>4ZVR_2 Caspase-7 (chains B, D)
SGPINDTDANPRYKIPVEADFLFAYSTVPGYVSYRVPGRGSWFVQALCSILEEHGKDLEI
MQILTRVNDRVARHFESDSDDPHFHEKKQIPCVVSMLTKELYFSQLEHHHHHH
Sequence of entity 3 (E, F), FASTA
>4ZVR_3 Peptide ACE-ASP-GLU-VAL-ASJ (chains E, F)
XDEVX
Primary citation
Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Hill, M.E., MacPherson, D.J., Wu, P. et al. ACS Chem Biol (2016) 11:1603-1612. DOI 10.1021/acschembio.5b00971 · PubMed
Other PDB entries of the same protein (UniProt P55210 (AlphaFold model), which also has an AlphaFold model), best resolution first:
- 4JR2 1.65 Å, Human procaspase-7/caspase-7 heterodimer bound to Ac-DEVD-CMK
- 4JB8 1.7 Å, Caspase-7 in Complex with DARPin C7_16
- 2QL9 2.14 Å, Crystal Structure of Caspase-7 with inhibitor AC-DQMD-CHO
- 4JR1 2.15 Å, Human procaspase-7 bound to Ac-DEVD-CMK
- 5K20 2.2 Å, Caspase-7 S239E Phosphomimetic
- 2QLB 2.25 Å, Crystal Structure of caspase-7 with inhibitor AC-ESMD-CHO
- 4LSZ 2.26 Å, Caspase-7 in Complex with DARPin D7.18
- 2QL5 2.34 Å, Crystal Structure of caspase-7 with inhibitor AC-DMQD-CHO
- 1F1J 2.35 Å, Crystal structure of caspase-7 in complex with acetyl-asp-glu-val-asp-cho
- 6CL2 2.35 Å, Caspase-7 in complex with Ac-ATS009-KE
- 1I4O 2.4 Å, Crystal structure of the xiap/caspase-7 complex
- 2QL7 2.4 Å, Crystal Structure of Caspase-7 with inhibitor AC-IEPD-CHO
Browse structure collections
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