7ZOC

Crystal structure of the peptidase domain of collagenase H from Clostridium histolyticum in complex with N-aryl-2-alkylmercaptoacetamide-based inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Collagenase ColH	polymer	413	48094.1	1	UniProt (Q46085) Pfam (PF01752) Pfam (PF18496) In PDB	Hathewaya histolytica	Class II collagenase,Gelatinase ColH,Microbial collagenase
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	A	~{N}-(4-ethanoylphenyl)-2-sulfanyl-propanamide	non-polymer		223.3	1	Chemie (T8E)
5		water	water		18.0	279	Chemie (HOH)

Sequence modifications

A: 331 - 721 (UniProt: Q46085)

PDB	External Database	Details
Met 309	-	initiating methionine
Gly 310	-	expression tag
Ser 311	-	expression tag
Ser 312	-	expression tag
His 313	-	expression tag
His 314	-	expression tag
His 315	-	expression tag
His 316	-	expression tag
His 317	-	expression tag
His 318	-	expression tag
Ser 319	-	expression tag
Ser 320	-	expression tag
Gly 321	-	expression tag
Glu 322	-	expression tag
Asn 323	-	expression tag
Leu 324	-	expression tag
Tyr 325	-	expression tag
Phe 326	-	expression tag
Gln 327	-	expression tag
Gly 328	-	expression tag
Gly 329	-	expression tag
Thr 330	-	expression tag
His 582	Tyr 582	conflict
Val 659	Ala 659	conflict
Lys 706	Arg 706	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	48094.1
Non-Polymers*	Number of molecules	3
	Total formula weight	328.8
All*	Total formula weight	48422.9

*Water molecules are not included.