MolNFT v1 · #165618 · protein

Vhh R303 C33A/C102A in complex withthe lrr domain of inlb

6U12: “Vhh R303 C33A/C102A in complex withthe lrr domain of inlb”. X-ray diffraction, 1 pocket (best druggability 0.41). MolNFT v1 #165618 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6U12
Type: protein
Length: 327 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inlb; Vhh R303 C33A/C102A mutant
UniProt: Q45GD4
Pockets: 1 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 16% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Inlb	protein	207	21% helix, 14% strand	Q45GD4
B	Vhh R303 C33A/C102A mutant	protein	120	6% helix, 53% strand	—

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	138	0.41	0.75	24	empty

Interfaces

1 interface between chains.

A–B · 735 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

6U12 · VHH R303 C33A/C102A in complex withthe LRR domain of InlB · 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 Q45GD4
Elsewhere: RCSB PDB 6U12 · PDBe 6U12 · UniProt Q45GD4

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