1GKD

MMP9 active site mutant-inhibitor complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	92 KDA TYPE IV COLLAGENASE	polymer	163	18383.4	2	UniProt (P14780) Pfam (PF00413)	HOMO SAPIENS (HUMAN)	MMP-9,92 KDA GELATINASE, GELATINASE B, MATRIX METALLOPROTEINASE-9
2	C, D, E, F, K... (A, B)	CALCIUM ION	non-polymer		40.1	8	Chemie (CA)
3	G, O (A, B)	2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID	non-polymer		189.2	2	Chemie (STN)
4	H, P (A, B)	2-AMINO-N,3,3-TRIMETHYLBUTANAMIDE	non-polymer		144.2	2	Chemie (BUM)
5	I, J, Q, R (A, B)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
6	S, T (A, B)	water	water		18.0	184	Chemie (HOH)

Sequence modifications

A, B: 106 - 106 (PDB: 1GKD)
A, B: 107 - 215 (UniProt: P14780)
A, B: 391 - 443 (UniProt: P14780)

PDB	External Database	Details
Gln 402	Glu 402	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	36766.8
Non-Polymers*	Number of molecules	16
	Total formula weight	1249.1
All*	Total formula weight	38016.0

*Water molecules are not included.