scPDB - 1uog entry

Protein Data Bank Entry:

PDB ID : 1uog

Resolution :1.700 Å

Experimental Method : X-ray

Deposition Date : 2003-09-17

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Deacetoxycephalosporin C synthase
ID:	CEFE_STRC2
AC:	P18548
Organism:	Streptomyces clavuligerus
Reign:	Bacteria
TaxID:	443255
EC Number:	1.14.20.1

Chains:

Chain Name:	Percentage of Residues within binding site
A	100 %

Ligand binding site composition:

B-Factor:	29.449
Number of residues:	27
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	FE2

Cavity properties

Ligandability	Volume (Å3)
0.921	526.500

% Hydrophobic	% Polar
54.49	45.51
According to VolSite

Ligand :

HET Code:	P1C
Formula:	C14H18N3O6S
Molecular weight:	356.374 g/mol
DrugBank ID:	DB03938
Buried Surface Area:	55.66 %
Polar Surface area:	182.61 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	2
Rings:	2
Aromatic rings:	0
Anionic atoms:	2
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	7

Mass center Coordinates

X	Y	Z
3.44738	13.5911	54.3707

Binding mode :

What is Poseview ?

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Image generated by PoseView

Protein

Binding Site

Ligand

Interaction pattern

hydrophobic (CA)

aromatic (CZ)

hydrogen bond acceptor (O)

hydrogen bond acceptor/donor (OG)

hydrogen bond donor (N)

positively ionized (NZ)

negatively ionized (OD1)

metal (ZN)

Legend:

Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand

Image generated using PoseView by BioSolveIT

Ligand	Protein		Interaction
Atom	Atom	Residue	Distance (Å)	Angle (°)	Type
O15	NH1	ARG- 160	2.95	139.68	H-Bond (Protein Donor)	false
C33	CG2	THR- 190	4.38	0	Hydrophobic	false
C37	CG2	THR- 190	3.81	0	Hydrophobic	false
C33	CB	ILE- 192	4.08	0	Hydrophobic	false
C33	CE2	PHE- 225	3.4	0	Hydrophobic	false
C37	CD2	PHE- 225	4.14	0	Hydrophobic	false
C33	CG2	VAL- 262	3.97	0	Hydrophobic	false
S	CG1	VAL- 262	3.98	0	Hydrophobic	false
C7	CZ	PHE- 264	4.22	0	Hydrophobic	false
S	CE2	PHE- 264	3.27	0	Hydrophobic	false
C3	CB	ASN- 304	3.63	0	Hydrophobic	false
O19	N	ASN- 304	3.36	165.06	H-Bond (Protein Donor)	false
O20	N	ASN- 304	3.02	141.1	H-Bond (Protein Donor)	false
C3	CG1	ILE- 305	4.01	0	Hydrophobic	false
S	CG2	ILE- 305	3.82	0	Hydrophobic	false
C7	CD1	ILE- 305	3.6	0	Hydrophobic	false
O20	N	ILE- 305	3.12	169.02	H-Bond (Protein Donor)	false