Research workbench
X-ray structure of macrophage inflammatory protein-1 alpha (D27A)
Analyse X-ray structure of macrophage inflammatory protein-1 alpha (D27A) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2X6G
- Type
- protein
- Length
- 1,158 residues
- Chains
- 18
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- C-C motif chemokine 3
- UniProt
- P10147
- Pockets
- 20 · best druggability 0.67
Structure
x-ray diffraction · 12 distinct chains · 21% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | C-C motif chemokine 3 | protein | 66 | 23% helix, 27% strand | P10147 |
| B, C, D, J, N, O | C-C motif chemokine 3 | protein | 65 | 22% helix, 28% strand | P10147 |
| E | C-C motif chemokine 3 | protein | 66 | 21% helix, 27% strand | P10147 |
| G | C-C motif chemokine 3 | protein | 63 | 22% helix, 25% strand | P10147 |
| H | C-C motif chemokine 3 | protein | 65 | 18% helix, 28% strand | P10147 |
| I | C-C motif chemokine 3 | protein | 67 | 21% helix, 27% strand | P10147 |
| K | C-C motif chemokine 3 | protein | 61 | 20% helix, 30% strand | P10147 |
| L | C-C motif chemokine 3 | protein | 62 | 23% helix, 31% strand | P10147 |
| M | C-C motif chemokine 3 | protein | 62 | 23% helix, 29% strand | P10147 |
| P | C-C motif chemokine 3 | protein | 64 | 20% helix, 28% strand | P10147 |
| Q | C-C motif chemokine 3 | protein | 63 | 17% helix, 29% strand | P10147 |
| R | C-C motif chemokine 3 | protein | 63 | 22% helix, 29% strand | P10147 |
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 152 | 0.67 | 0.88 | 27 | empty |
| 2 | 321 | 0.67 | 0.82 | 38 | empty |
| 3 | 420 | 0.66 | 0.79 | 58 | empty |
| 4 | 375 | 0.65 | 0.79 | 42 | empty |
| 5 | 362 | 0.64 | 0.79 | 57 | empty |
Interfaces
36 interfaces between chains.
- G–H · 755 Ų buried · 11 hydrogen bonds · protein-protein
- O–P · 751 Ų buried · 13 hydrogen bonds · protein-protein
- I–J · 749 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 745 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 742 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide (disulfide).
Compared structures
- 2X6G · X-ray Structure of Macrophage Inflammatory Protein-1 alpha (D27A) · the same entry in another collection · chain G against G, 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 P10147
- Elsewhere: RCSB PDB 2X6G · PDBe 2X6G · UniProt P10147
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