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Crystal structure of holo-AB3403 a four domain nonribosomal peptide synthetase from acinetobacter baumanii
Analyse Crystal structure of holo-AB3403 a four domain nonribosomal peptide synthetase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZXH
- Type
- protein
- Length
- 1,314 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABBFA_003403
- UniProt
- B7H2D0
- Ligands
- PNS, PX4, K, NI
- Pockets
- 12 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABBFA_003403 | protein | 1314 | 36% helix, 21% strand | B7H2D0 |
Ligands and binding sites
- PNS · 4'-phosphopantetheine · ligand · chains A
- PX4 · 1,2-dimyristoyl-sn-glycero-3-phosphocholine · ligand · chains A
- K · Potassium ion · metal · chains A
- NI · Nickel (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1102 | 0.88 | 0.89 | 127 | PNS |
| 2 | 549 | 0.82 | 0.87 | 40 | PX4 |
| 3 | 1127 | 0.81 | 0.82 | 99 | empty |
| 4 | 670 | 0.79 | 0.84 | 71 | empty |
| 5 | 345 | 0.65 | 0.80 | 48 | empty |
Modifications
Observed in the structure: 1 cofactor (phosphopantetheinylation).
Compared structures
- 4ZXH · Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase 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 B7H2D0
- Elsewhere: RCSB PDB 4ZXH · PDBe 4ZXH · UniProt B7H2D0
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