MolNFT v1 · #114353 · protein + DNA
Crystal structure of putative marr family transcriptional regulator hcar from acinetobacter sp. ADP complexed with 24MER DNA.
5BMZ · Hcar protein: “Crystal structure of putative marr family transcriptional regulator hcar from acinetobacter sp. ADP complexed…”. X-ray diffraction, 11 pockets (best druggability 0.83). MolNFT v1 #114353 on GenesisL1: 3D structure…
- PDB
- 5BMZ
- Type
- protein + DNA
- Length
- 648 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hcar protein; DNA (5'- D(P*GP*AP*AP*TP*AP*TP*CP*AP*GP*TP*TP*AP*AP*AP*CP*TP*GP*AP*TP*AP*TP*…
- UniProt
- Q7X0D9
- Pockets
- 11 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 65% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Hcar protein | protein | 139 | 65% helix, 9% strand | Q7X0D9 |
| E, F, G, H | DNA (5'- D(P*GP*AP*AP*TP*AP*TP*CP*AP*GP*TP*TP*AP*AP*AP*CP*TP*GP*AP*TP*AP*TP*TP *C)-3') | dna | 23 | — | — |
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1118 | 0.83 | 0.84 | 79 | empty |
| 2 | 1095 | 0.82 | 0.83 | 82 | empty |
| 3 | 317 | 0.60 | 0.78 | 37 | empty |
| 4 | 191 | 0.51 | 0.78 | 24 | empty |
| 5 | 71 | 0.40 | 0.79 | 13 | empty |
Interfaces
14 interfaces between chains.
- C–D · 2504 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 2483 Ų buried · 19 hydrogen bonds · protein-protein
- E–F · 976 Ų buried · 88 hydrogen bonds · nucleic-nucleic
- G–H · 975 Ų buried · 89 hydrogen bonds · nucleic-nucleic
- D–G · 536 Ų buried · 8 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 5BMZ · Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from… · 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 Q7X0D9
- Elsewhere: RCSB PDB 5BMZ · PDBe 5BMZ · UniProt Q7X0D9
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