MolNFT v1 · #146742 · protein

Crystal structure of regulator of proteinase B ropb complexed with sip

6DQL: “Crystal structure of regulator of proteinase B ropb complexed with sip”. X-ray diffraction, 2 pockets (best druggability 0.50). MolNFT v1 #146742 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6DQL
Type: protein
Length: 461 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Regulator of proteinase B ropb; Speb-inducing peptide (sip)
UniProt: D3KVD8
Pockets: 2 · best druggability 0.50

Structure

x-ray diffraction · 3 distinct chains · 76% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Regulator of proteinase B ropb	protein	227	78% helix, 0% strand	D3KVD8
B	Regulator of proteinase B ropb	protein	226	76% helix, 0% strand	D3KVD8
C	Speb-inducing peptide (sip)	protein	8	0% helix, 0% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	151	0.50	0.78	23	empty
2	56	0.33	0.78	19	empty

Interfaces

2 interfaces between chains.

A–B · 1045 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 420 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

6DQL · Crystal structure of Regulator of Proteinase B RopB complexed with SIP · the same entry in another collection · chain C against C, 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 D3KVD8
Elsewhere: RCSB PDB 6DQL · PDBe 6DQL · UniProt D3KVD8

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