MolNFT v1 · #162556 · protein

Crystal structure of the OMPK36 clinical isolate ST258 from klebsiella pneumonia

6RCP: “Crystal structure of the OMPK36 clinical isolate ST258 from klebsiella pneumonia”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #162556 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6RCP
Type: protein
Length: 6,282 residues
Chains: 18
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: OMPK36
UniProt: E5G6G2
Pockets: 20 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 57% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, E, G, H, I, K, L, N, O, P, Q, R, F, D, J, M, C	OMPK36	protein	349	5% helix, 57% strand	E5G6G2

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	192	0.84	0.97	26	empty
2	208	0.84	0.96	26	empty
3	193	0.84	0.97	26	empty
4	214	0.83	0.96	30	empty
5	646	0.83	0.88	30	empty

Interfaces

34 interfaces between chains.

P–R · 1763 Å² buried · 28 hydrogen bonds · protein-protein
E–C · 1723 Å² buried · 30 hydrogen bonds · protein-protein
Q–R · 1721 Å² buried · 28 hydrogen bonds · protein-protein
D–C · 1709 Å² buried · 33 hydrogen bonds · protein-protein
G–I · 1706 Å² buried · 26 hydrogen bonds · protein-protein

Compared structures

6RCP · Crystal structure of the OmpK36 clinical isolate ST258 from Klebsiella pneumonia · 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 E5G6G2
Elsewhere: RCSB PDB 6RCP · PDBe 6RCP · UniProt E5G6G2

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