scPDB - 1bzs entry

Protein Data Bank Entry:

PDB ID : 1bzs

Resolution :1.700 Å

Experimental Method : X-ray

Deposition Date : 1998-11-04

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Neutrophil collagenase
ID:	MMP8_HUMAN
AC:	P22894
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	3.4.24.34

Chains:

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

Ligand binding site composition:

B-Factor:	9.475
Number of residues:	27
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	ZN

Cavity properties

Ligandability	Volume (Å3)
0.153	330.750

% Hydrophobic	% Polar
44.90	55.10
According to VolSite

Ligand :

HET Code:	BSI
Formula:	C22H18NO4S
Molecular weight:	392.448 g/mol
DrugBank ID:	DB03207
Buried Surface Area:	60.73 %
Polar Surface area:	85.89 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	0
Rings:	4
Aromatic rings:	3
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	4

Mass center Coordinates

X	Y	Z
27.4829	57.8857	50.7336

Binding mode :

What is Poseview ?

2D View
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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
C10	CG2	ILE- 159	4.33	0	Hydrophobic	false
C7	CD1	ILE- 159	3.93	0	Hydrophobic	false
C17	CD1	LEU- 160	4.34	0	Hydrophobic	false
O29	N	LEU- 160	2.8	158.32	H-Bond (Protein Donor)	false
O29	N	ALA- 161	3.31	159.28	H-Bond (Protein Donor)	false
C10	CB	HIS- 162	4.16	0	Hydrophobic	false
C24	CB	LEU- 193	4.29	0	Hydrophobic	false
C23	CG2	VAL- 194	4.45	0	Hydrophobic	false
C18	CG1	VAL- 194	4.21	0	Hydrophobic	false
C18	CB	HIS- 197	4.14	0	Hydrophobic	false
C23	CB	HIS- 197	3.74	0	Hydrophobic	false
C22	CB	HIS- 197	3.83	0	Hydrophobic	false
C25	CD1	LEU- 214	3.79	0	Hydrophobic	false
C19	CB	TYR- 219	4.17	0	Hydrophobic	false
C22	CB	TYR- 219	4	0	Hydrophobic	false
O45	ZN	ZN- 999	2.65	0	Metal Acceptor	false
O46	ZN	ZN- 999	1.97	0	Metal Acceptor	false