scPDB - 2zw5 entry

Protein Data Bank Entry:

PDB ID : 2zw5

Resolution :2.400 Å

Experimental Method : X-ray

Deposition Date : 2008-12-01

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Bleomycin acetyltransferase
ID:	Q53796_9ACTN
AC:	Q53796
Organism:	Streptomyces verticillus
Reign:	Bacteria
TaxID:	29309
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	44.423
Number of residues:	38
Including
Standard Amino Acids:	38
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.945	749.250

% Hydrophobic	% Polar
50.00	50.00
According to VolSite

Ligand :

HET Code:	COA
Formula:	C21H32N7O16P3S
Molecular weight:	763.502 g/mol
DrugBank ID:	DB01992
Buried Surface Area:	52.08 %
Polar Surface area:	426.11 Å2

Number of
H-Bond Acceptors:	21
H-Bond Donors:	6
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	3
Rotatable Bonds:	18

Mass center Coordinates

X	Y	Z
53.6487	33.0743	112.909

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
C6P	CE3	TRP- 44	4.09	0	Hydrophobic	false
S1P	CE2	TRP- 97	4.49	0	Hydrophobic	false
C6P	CB	LEU- 98	4.04	0	Hydrophobic	false
CCP	CD1	LEU- 99	4.26	0	Hydrophobic	false
CDP	CG	LEU- 99	4.3	0	Hydrophobic	false
O9P	N	LEU- 99	2.93	164.2	H-Bond (Protein Donor)	false
CAP	CE2	TRP- 104	3.67	0	Hydrophobic	false
O5A	N	GLY- 105	3.45	146.37	H-Bond (Protein Donor)	false
O1A	N	TYR- 108	3.34	125.56	H-Bond (Protein Donor)	false
CCP	CB	ALA- 109	3.94	0	Hydrophobic	false
O2A	N	THR- 110	3.08	149.79	H-Bond (Protein Donor)	false
O2A	OG1	THR- 110	2.6	160.72	H-Bond (Protein Donor)	false
C2P	CG1	ILE- 133	4.2	0	Hydrophobic	false
O5P	ND2	ASN- 137	2.66	141.32	H-Bond (Protein Donor)	false
CEP	CB	ARG- 139	4.29	0	Hydrophobic	false
CEP	CB	SER- 140	3.9	0	Hydrophobic	false
O9A	CZ	ARG- 146	3.66	0	Ionic (Protein Cationic)	false
O2A	NH1	ARG- 146	3.35	121.27	H-Bond (Protein Donor)	false