MolNFT v1 · #182516 · protein + DNA
Crystal structure of colibactin self-resistance protein clbs in complex with a dsdna
7MTL · Colibactin self-protection protein clbs: “Crystal structure of colibactin self-resistance protein clbs in complex with a dsdna”. X-ray diffraction, 4 pockets (best druggability 0.66). MolNFT v1 #182516 on GenesisL1: 3D structure…
- PDB
- 7MTL
- Type
- protein + DNA
- Length
- 360 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Colibactin self-protection protein clbs; DNA (5'-D(*AP*AP*TP*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP…
- UniProt
- Q0P7K8
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 4 distinct chains · 64% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Colibactin self-protection protein clbs | protein | 168 | 63% helix, 7% strand | Q0P7K8 |
| B | Colibactin self-protection protein clbs | protein | 162 | 65% helix, 1% strand | Q0P7K8 |
| C | DNA (5'-D(*AP*AP*TP*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*AP*G)- 3') | dna | 15 | — | — |
| D | DNA (5'-D(*CP*TP*GP*GP*AP*AP*GP*TP*GP*GP*GP*AP*AP*TP*T)- 3') | dna | 15 | — | — |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 598 | 0.66 | 0.77 | 48 | empty |
| 2 | 176 | 0.54 | 0.79 | 26 | empty |
| 3 | 88 | 0.35 | 0.75 | 13 | empty |
| 4 | 93 | 0.30 | 0.72 | 16 | empty |
Interfaces
6 interfaces between chains.
- C–D · 624 Ų buried · 54 hydrogen bonds · nucleic-nucleic
- A–C · 476 Ų buried · 11 hydrogen bonds · protein-nucleic
- A–B · 412 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 373 Ų buried · 6 hydrogen bonds · protein-nucleic
- A–D · 130 Ų buried · 0 hydrogen bonds · protein-nucleic
Compared structures
- 7MTL · Crystal structure of colibactin self-resistance protein ClbS in complex with a dsDNA · the same entry in another collection · chain A against A, TM-score 1.00
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 Q0P7K8
- Elsewhere: RCSB PDB 7MTL · PDBe 7MTL · UniProt Q0P7K8
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