MolNFT v1 · #78022 · protein

Rhesus macaque MHC class I molecule mamu-B*17-FW9

3RWE · Major histocompatibility complex class I: “Rhesus macaque MHC class I molecule mamu-B*17-FW9”. X-ray diffraction, 3 pockets (best druggability 0.68). MolNFT v1 #78022 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3RWE
Type: protein
Length: 384 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Major histocompatibility complex class I; Beta-2-microglobulin; Pol FW9 peptide from pol…
UniProt: Q9GJ77, Q6V7J5, Q5QGH9
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 18% helix, 42% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Major histocompatibility complex class I	protein	276	25% helix, 40% strand	Q9GJ77
B	Beta-2-microglobulin	protein	99	0% helix, 49% strand	Q6V7J5
C	Pol FW9 peptide from pol protein	protein	9	0% helix, 0% strand	Q5QGH9

Ligands and binding sites

PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	622	0.68	0.77	59	empty
2	115	0.48	0.80	19	empty
3	52	0.35	0.79	15	empty

Interfaces

2 interfaces between chains.

A–B · 1378 Å² buried · 23 hydrogen bonds · protein-protein
A–C · 1051 Å² buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

3RWE · rhesus macaque MHC class I molecule Mamu-B*17-FW9 · the same entry in another collection · chain A against A, TM-score 1.00
Q6V7J5 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (Q6V7J5) · a predicted model of the same protein · chain B 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 Q9GJ77
Every structure of UniProt Q6V7J5
Every structure of UniProt Q5QGH9
Elsewhere: RCSB PDB 3RWE · PDBe 3RWE · UniProt Q9GJ77 · UniProt Q6V7J5 · UniProt Q5QGH9

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