MolNFT v1 · #159058 · protein
Crystal structure of mycobacterium tuberculosis proteasome in complex with phenylimidazole-based inhibitor A85
6OCW: “Crystal structure of mycobacterium tuberculosis proteasome in complex with phenylimidazole-based inhibitor A85”. X-ray diffraction, 1 ligand (M6M). MolNFT v1 #159058 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6OCW
- Type
- protein
- Length
- 6,137 residues
- Chains
- 28
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P9WHU1, P9WHT9
- Ligands
- M6M
Structure
x-ray diffraction · 13 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 218 | — | P9WHU1 |
| B, Q | — | protein | 215 | — | P9WHU1 |
| C, U | — | protein | 216 | — | P9WHU1 |
| D | — | protein | 215 | — | P9WHU1 |
| E, P | — | protein | 216 | — | P9WHU1 |
| F | — | protein | 214 | — | P9WHU1 |
| G | — | protein | 216 | — | P9WHU1 |
| H, I, J, M, X, Z, b | — | protein | 222 | — | P9WHT9 |
| K, L, N, V, W, Y, a | — | protein | 223 | — | P9WHT9 |
| O | — | protein | 215 | — | P9WHU1 |
| R | — | protein | 215 | — | P9WHU1 |
| S | — | protein | 218 | — | P9WHU1 |
| T | — | protein | 217 | — | P9WHU1 |
Ligands and binding sites
- M6M · N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name) · ligand · 14 copies · chains H, I, J, K, L, M, N, V, W, X, Y, Z, a, b
- DMF · Dimethylformamide · additive · 15 copies · chains A, G, H, C, D, E, F, N, B, J, O, W, P, X, Q, Y, R, Z, S, T, U, a
- CIT · Citric acid · additive · 14 copies · chains H, Y, I, X, J, K, V, L, b, M, N, Z, W, a
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- P9WHT9 · AlphaFold monomer V2.0 prediction for proteasome subunit beta (P9WHT9) · a predicted model of the same protein · chain H against A, TM-score 1.00
- P9WHU1 · AlphaFold monomer V2.0 prediction for proteasome subunit alpha (P9WHU1) · a predicted model of the same protein · chain G against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P9WHU1
- Every structure of UniProt P9WHT9
- Elsewhere: RCSB PDB 6OCW · PDBe 6OCW · UniProt P9WHU1 · UniProt P9WHT9
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