MolNFT v1 · #78027 · protein

Rhesus macaque MHC class I molecule mamu-B*17-HW8

3RWJ · Major histocompatibility complex class I: “Rhesus macaque MHC class I molecule mamu-B*17-HW8”. X-ray diffraction, 5 pockets (best druggability 0.69). MolNFT v1 #78027 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3RWJ
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; Vif HW8 peptide from…
UniProt: Q9GJ77, P61769, Q89490
Pockets: 5 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 18% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Major histocompatibility complex class I	protein	276	25% helix, 39% strand	Q9GJ77
B	Beta-2-microglobulin	protein	100	0% helix, 48% strand	P61769
C	Vif HW8 peptide from virion infectivity factor	protein	8	0% helix, 0% strand	Q89490

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	583	0.69	0.78	57	empty
2	50	0.54	0.89	13	empty
3	140	0.47	0.78	24	empty
4	62	0.36	0.78	14	empty
5	60	0.35	0.78	17	empty

Interfaces

2 interfaces between chains.

A–B · 1418 Å² buried · 23 hydrogen bonds · protein-protein
A–C · 932 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

3RWJ · Rhesus macaque MHC class I molecule Mamu-B*17-HW8 · the same entry in another collection · chain A against A, TM-score 1.00
P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P61769
Every structure of UniProt Q89490
Elsewhere: RCSB PDB 3RWJ · PDBe 3RWJ · UniProt Q9GJ77 · UniProt P61769 · UniProt Q89490

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