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Uca (unbound) from CH103 lineage

Analyse Uca (unbound) from CH103 lineage in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4QHK
Type: protein
Length: 1,704 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uca heavy chain; Uca light chain
Pockets: 20 · best druggability 0.64

Structure

x-ray diffraction · 3 distinct chains · 3% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
M, O	Uca heavy chain	protein	216	3% helix, 50% strand	—
I, K	Uca heavy chain	protein	218	3% helix, 49% strand	—
N, J, L, P	Uca light chain	protein	209	4% helix, 45% strand	—

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	379	0.64	0.78	40	empty
2	495	0.63	0.76	66	empty
3	475	0.59	0.74	45	empty
4	471	0.58	0.74	47	empty
5	375	0.58	0.75	36	empty

Interfaces

11 interfaces between chains.

K–L · 1858 Å² buried · 14 hydrogen bonds · protein-protein
I–J · 1842 Å² buried · 10 hydrogen bonds · protein-protein
O–P · 1835 Å² buried · 17 hydrogen bonds · protein-protein
M–N · 1731 Å² buried · 15 hydrogen bonds · protein-protein
N–J · 375 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

4QHK · UCA (unbound) from CH103 Lineage · the same entry in another collection · chain M against M, 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
Elsewhere: RCSB PDB 4QHK · PDBe 4QHK

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