2QLB: Caspase-7 with inhibitor AC-ESMD-CHO
Crystal Structure of caspase-7 with inhibitor AC-ESMD-CHO. Determined by X-ray diffraction at 2.25 Å resolution. Released 28 Aug 2007.
- Method
- X-ray diffraction
- Resolution
- 2.25 Å
- Organism
- Homo sapiens
- Chains
- 7
- Atoms
- 4,049
- Mol. weight
- 63.54 kDa
- Ligands
- CIT
- Released
- 28 Aug 2007
Explore 2QLB in 3D
Show helices and sheets
RCSB PDB
PDBe
Secondary structure: helices and β-sheets
2QLB contains 18 α-helices and 40 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: 6 helices, 11 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 59 | 1 | 1 |
| β-strand | 66-74 | 9 | 2 |
| α-helix | 80-82 | 3 | |
| α-helix | 84-86 | 3 | |
| α-helix | 90-104 | 15 | |
| β-strand | 107-112 | 6 | 2 |
| α-helix | 116-127 | 12 | |
| β-strand | 134-142 | 9 | 2 |
| β-strand | 145-146 | 2 | 3 |
| β-strand | 149-152 | 4 | 3 |
| β-strand | 155-158 | 4 | 3 |
| α-helix | 159-164 | 6 | |
| α-helix | 172-174 | 3 | |
| β-strand | 179-184 | 6 | 2 |
| β-strand | 190 | 1 | 4 |
| β-strand | 192 | 1 | 5 |
| β-strand | 195 | 1 | 6 |
Chain B: 3 helices, 8 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 213 | 1 | 7 |
| β-strand | 219-223 | 5 | 2 |
| β-strand | 229 | 1 | 4 |
| β-strand | 232-234 | 3 | 8 |
| β-strand | 238-239 | 2 | 8 |
| α-helix | 240-252 | 13 | |
| α-helix | 258-272 | 15 | |
| α-helix | 280-282 | 3 | |
| β-strand | 286 | 1 | 5 |
| β-strand | 290-293 | 4 | 2 |
| β-strand | 298 | 1 | 1 |
Chain C: 6 helices, 11 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 359 | 1 | 9 |
| β-strand | 366-374 | 9 | 2 |
| α-helix | 380-382 | 3 | |
| α-helix | 384-386 | 3 | |
| α-helix | 390-404 | 15 | |
| β-strand | 406-412 | 7 | 2 |
| α-helix | 416-428 | 13 | |
| β-strand | 434-442 | 9 | 2 |
| β-strand | 445-446 | 2 | 10 |
| β-strand | 449-452 | 4 | 10 |
| β-strand | 455-458 | 4 | 10 |
| α-helix | 459-464 | 6 | |
| α-helix | 472-474 | 3 | |
| β-strand | 479-484 | 6 | 2 |
| β-strand | 490 | 1 | 11 |
| β-strand | 492 | 1 | 12 |
| β-strand | 495 | 1 | 7 |
Chain D: 3 helices, 8 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 513 | 1 | 6 |
| β-strand | 519-523 | 5 | 2 |
| β-strand | 529 | 1 | 11 |
| β-strand | 532-534 | 3 | 13 |
| β-strand | 538-539 | 2 | 13 |
| α-helix | 540-552 | 13 | |
| α-helix | 558-572 | 15 | |
| α-helix | 580-582 | 3 | |
| β-strand | 586 | 1 | 12 |
| β-strand | 590-593 | 4 | 2 |
| β-strand | 598 | 1 | 9 |
Chain E: 0 helices, 1 β-strand
| Element | Residues | Length | Sheet |
|---|
| β-strand | 703-704 | 2 | 8 |
Chain F: 0 helices, 1 β-strand
| Element | Residues | Length | Sheet |
|---|
| β-strand | 803-804 | 2 | 13 |
Molecules and chains
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|
| Caspase-7 | A, C | protein | 173 | Homo sapiens | P55210 (AlphaFold model) |
| Caspase-7 | B, D | protein | 97 | Homo sapiens | P55210 (AlphaFold model) |
| Inhibitor AC-ESMD-CHO | E, F | protein | 5 | | |
| Peptide QGHGE | G | protein | 5 | | |
Sequence of entity 1 (A, C), FASTA
>2QLB_1 Caspase-7 (chains A, C)
AKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTG
MGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLS
HGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQ
Sequence of entity 2 (B, D), FASTA
>2QLB_2 Caspase-7 (chains B, D)
ANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVN
DRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ
Sequence of entity 3 (E, F), FASTA
>2QLB_3 Inhibitor AC-ESMD-CHO (chains E, F)
XESMX
Sequence of entity 4 (G), FASTA
>2QLB_4 Peptide QGHGE (chains G)
QGHGE
Ligands and cofactors
| ID | Name | Formula | Copies |
|---|
| CIT | Citric acid | C6 H8 O7 | 1 |
Primary citation
Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis. Agniswamy, J., Fang, B., Weber, I.T. FEBS J (2007) 274:4752-4765. DOI 10.1111/j.1742-4658.2007.05994.x · 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
- 4LSZ 2.26 Å, Caspase-7 in Complex with DARPin D7.18
- 4ZVR 2.3 Å, Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to…
- 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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