MolNFT v1 · #163396 · protein

Crystal structure of dimeric M-pmv protease C7A/D26N/C106A mutant in complex with inhibitor

6S1U · Gag-pro-pol polyprotein: “Crystal structure of dimeric M-pmv protease C7A/D26N/C106A mutant in complex with inhibitor”. X-ray diffraction, 1 pocket (best druggability 0.52). MolNFT v1 #163396 on GenesisL1: 3D structure, binding…

PDB: 6S1U
Type: protein
Length: 216 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gag-pro-pol polyprotein; Pro-0A1-val-psa-ala-met-thr
EC: 3.6.1.23, 3.4.23.-, 2.7.7.49, 2.7.7.7, 3.1.26.4, 2.7.7.-, 3.1.-.-
UniProt: P07572
Pockets: 1 · best druggability 0.52

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gag-pro-pol polyprotein (EC 3.6.1.23, 3.4.23.-, 2.7.7.49, 2.7.7.7, 3.1.26.4, 2.7.7.-, 3.1.-.-)	protein	103	9% helix, 41% strand	P07572
B	Gag-pro-pol polyprotein (EC 3.6.1.23, 3.4.23.-, 2.7.7.49, 2.7.7.7, 3.1.26.4, 2.7.7.-, 3.1.-.-)	protein	106	8% helix, 42% strand	P07572
I	Pro-0A1-val-psa-ala-met-thr	protein	7	0% helix, 29% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	207	0.52	0.77	31	empty

Interfaces

3 interfaces between chains.

A–B · 1446 Å² buried · 29 hydrogen bonds · protein-protein
B–I · 453 Å² buried · 8 hydrogen bonds · protein-protein
A–I · 408 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

6S1U · Crystal structure of dimeric M-PMV protease C7A/D26N/C106A mutant in complex with… · 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 P07572
Elsewhere: RCSB PDB 6S1U · PDBe 6S1U · UniProt P07572

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