MolNFT v1 · #161457 · protein

Structure of an E.COLI expressed anti-MCL1 scfv

6QF6 · E.COLI expressed scfv: “Structure of an E.COLI expressed anti-MCL1 scfv”. X-ray diffraction, 7 pockets (best druggability 0.70). MolNFT v1 #161457 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6QF6
Type: protein
Length: 909 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: E.COLI expressed scfv
Pockets: 7 · best druggability 0.70

Structure

x-ray diffraction · 3 distinct chains · 4% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	E.COLI expressed scfv	protein	226	3% helix, 47% strand	—
B, D	E.COLI expressed scfv	protein	228	5% helix, 50% strand	—
C	E.COLI expressed scfv	protein	227	3% helix, 51% strand	—

Pockets

7 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	717	0.70	0.77	68	empty
2	189	0.53	0.78	23	empty
3	165	0.45	0.75	21	empty
4	99	0.43	0.79	19	empty
5	136	0.42	0.75	16	empty

Interfaces

5 interfaces between chains.

A–B · 508 Å² buried · 13 hydrogen bonds · protein-protein
A–C · 296 Å² buried · 4 hydrogen bonds · protein-protein
C–D · 163 Å² buried · 1 hydrogen bond · protein-protein
B–C · 98 Å² buried · 0 hydrogen bonds · protein-protein
A–D · 51 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

6QF6 · Structure of an E.coli expressed anti-Mcl1 scFv · 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 6QF6 · PDBe 6QF6

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