MolNFT v1 · #32817 · protein

Enaiihis Fab fragment in the free form

2C1O · Igk-C protein: “Enaiihis Fab fragment in the free form”. X-ray diffraction, 10 pockets (best druggability 0.70). MolNFT v1 #32817 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2C1O
Type: protein
Length: 869 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Igk-C protein; Igh-4 protein
Pockets: 10 · best druggability 0.70

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, L	Igk-C protein	protein	217	6% helix, 51% strand	—
B	Igh-4 protein	protein	217	8% helix, 53% strand	—
H	Igh-4 protein	protein	218	6% helix, 50% strand	—

Pockets

10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	570	0.70	0.79	68	empty
2	309	0.68	0.82	31	empty
3	281	0.65	0.81	27	empty
4	275	0.56	0.77	44	empty
5	162	0.52	0.79	32	empty

Interfaces

4 interfaces between chains.

H–L · 1702 Å² buried · 14 hydrogen bonds · protein-protein
A–B · 1683 Å² buried · 9 hydrogen bonds · protein-protein
B–L · 303 Å² buried · 1 hydrogen bond · protein-protein
A–L · 111 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

2C1O · ENAIIHis Fab fragment in the free form · 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
Elsewhere: RCSB PDB 2C1O · PDBe 2C1O

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