1HOV

SOLUTION STRUCTURE OF A CATALYTIC DOMAIN OF MMP-2 COMPLEXED WITH SC-74020

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Functional Information from GO Data

ChainGOidnamespacecontents
A0062023cellular_componentcollagen-containing extracellular matrix
A0005576cellular_componentextracellular region
A0005615cellular_componentextracellular space
A0005739cellular_componentmitochondrion
A0005634cellular_componentnucleus
A0005886cellular_componentplasma membrane
A0030017cellular_componentsarcomere
A0004222molecular_functionmetalloendopeptidase activity
A0008237molecular_functionmetallopeptidase activity
A0004252molecular_functionserine-type endopeptidase activity
A0008270molecular_functionzinc ion binding
A0001525biological_processangiogenesis
A0001955biological_processblood vessel maturation
A0060346biological_processbone trabecula formation
A0044267biological_processcellular protein metabolic process
A0071230biological_processcellular response to amino acid stimulus
A0034614biological_processcellular response to reactive oxygen species
A0030574biological_processcollagen catabolic process
A0019221biological_processcytokine-mediated signaling pathway
A0007566biological_processembryo implantation
A0035987biological_processendodermal cell differentiation
A0048013biological_processephrin receptor signaling pathway
A0022617biological_processextracellular matrix disassembly
A0030198biological_processextracellular matrix organization
A0060325biological_processface morphogenesis
A0001957biological_processintramembranous ossification
A1904707biological_processpositive regulation of vascular smooth muscle cell proliferation
A0006508biological_processproteolysis
A1904645biological_processresponse to amyloid-beta
A0001666biological_processresponse to hypoxia
A0048771biological_processtissue remodeling
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC14BINDING SITE FOR RESIDUE ZN A 165
ChainResidue
AHIS70
AASP72
AHIS85
AHIS98

AC24BINDING SITE FOR RESIDUE ZN A 166
ChainResidue
AHIS120
AHIS124
AHIS130
AI52800

AC37BINDING SITE FOR RESIDUE CA A 167
ChainResidue
AASP77
AGLY78
ALYS79
AASP80
ALEU82
AASP100
AGLU103

AC46BINDING SITE FOR RESIDUE CA A 168
ChainResidue
AASP60
AGLY92
AVAL93
AGLY94
AGLY95
AASP96

AC519BINDING SITE FOR RESIDUE I52 A 800
ChainResidue
AGLY81
ALEU82
ALEU83
AALA84
AHIS85
AHIS120
AGLU121
AHIS124
AHIS130
AALA136
ALEU137
AALA139
AILE141
ATYR142
ATHR143
ATHR145
APHE148
AARG149
AZN166

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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
I52_1hov_A_800124N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE binding site
ChainResidueligand
ALYS8I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AILE20I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
ATHR24I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
ALEU27I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AVAL32I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AALA35-PHE36I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AARG38-TRP43I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AILE61-GLY66I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AHIS70I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AASP72I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AASP80-GLY90I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AGLY92-ASP100I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
ATRP105-ASN107I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AASN111-HIS130I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
APRO134-THR145I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
APHE148-SER151I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AASP153-ASP154I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AALA37I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
ASER44-VAL46I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
APHE51I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
APRO75-LYS79I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
ASER131-ASP133I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
ALYS146I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AGLN152I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AILE155I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
ATYR18I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
ATYR23I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AASP26I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
ATHR31I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AASP33-ASP34I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
ATYR74I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AASP102-LEU104I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
ATHR108-ALA110I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AASN147I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
ALEU49I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AGLY73I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AASP101I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AARG67-TRP68I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
ALYS156-ILE158I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AGLU160-LEU161I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AGLU69I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
AGLY71I52: N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE

CA_1hov_A_16865CALCIUM ION binding site
ChainResidueligand
ATRP11CA: CALCIUM ION
AILE20-TYR23CA: CALCIUM ION
AALA59-MET62CA: CALCIUM ION
AASN64-PHE65CA: CALCIUM ION
ATYR74CA: CALCIUM ION
AGLY90CA: CALCIUM ION
AGLY92-ASP96CA: CALCIUM ION
AARG19CA: CALCIUM ION
ATHR24-PRO25CA: CALCIUM ION
AILE63CA: CALCIUM ION
ASER97CA: CALCIUM ION
APHE99CA: CALCIUM ION
AASP101CA: CALCIUM ION
AGLY66-ARG67CA: CALCIUM ION
AHIS70-GLY71CA: CALCIUM ION
APRO89CA: CALCIUM ION
AASP133CA: CALCIUM ION
AALA136CA: CALCIUM ION
APRO140CA: CALCIUM ION
AASP153CA: CALCIUM ION
ATRP68-GLU69CA: CALCIUM ION
APHE87CA: CALCIUM ION
AHIS98CA: CALCIUM ION
ALYS156CA: CALCIUM ION
AGLN132CA: CALCIUM ION
APRO9-LYS10CA: CALCIUM ION
AASP12CA: CALCIUM ION
ATHR91CA: CALCIUM ION
APRO134-GLY135CA: CALCIUM ION
ALYS79-GLY81CA: CALCIUM ION
AALA88CA: CALCIUM ION
AGLU103CA: CALCIUM ION
ATYR112CA: CALCIUM ION
ALEU27CA: CALCIUM ION
ATHR31CA: CALCIUM ION
AASP72-GLY73CA: CALCIUM ION
ALEU104-ASN111CA: CALCIUM ION
AILE141CA: CALCIUM ION

ZN_1hov_A_16551ZINC ION binding site
ChainResidueligand
AMET62-ILE63ZN: ZINC ION
AGLY66ZN: ZINC ION
AHIS70ZN: ZINC ION
AASP72ZN: ZINC ION
AHIS85-PHE87ZN: ZINC ION
AGLY95-HIS98ZN: ZINC ION
AHIS130ZN: ZINC ION
AASN64-PHE65ZN: ZINC ION
AARG67ZN: ZINC ION
APHE76-ASP77ZN: ZINC ION
ALEU82-ALA84ZN: ZINC ION
APHE99-ASP101ZN: ZINC ION
APRO140ZN: ZINC ION
AGLY73-PRO75ZN: ZINC ION
AALA88ZN: ZINC ION
AVAL93ZN: ZINC ION
AHIS120ZN: ZINC ION
AHIS124ZN: ZINC ION
AGLU129ZN: ZINC ION
ASER131ZN: ZINC ION
AMET138-ALA139ZN: ZINC ION
AILE141ZN: ZINC ION
AGLN132ZN: ZINC ION
AGLY71ZN: ZINC ION
AGLY94ZN: ZINC ION
AASP80-GLY81ZN: ZINC ION
ATHR91ZN: ZINC ION
AGLU103ZN: ZINC ION
AGLY78-LYS79ZN: ZINC ION
AASP102ZN: ZINC ION
ALEU104-TRP105ZN: ZINC ION
AASN111-TYR112ZN: ZINC ION

CA_1hov_A_16778CALCIUM ION binding site
ChainResidueligand
AASP77-LEU83CA: CALCIUM ION
AALA86-ALA88CA: CALCIUM ION
AVAL93-ASP96CA: CALCIUM ION
AASP100CA: CALCIUM ION
AGLU103CA: CALCIUM ION
ATRP105CA: CALCIUM ION
AGLY123-HIS124CA: CALCIUM ION
AMET126-GLN132CA: CALCIUM ION
AMET138CA: CALCIUM ION
APHE76CA: CALCIUM ION
AALA84-HIS85CA: CALCIUM ION
APRO89CA: CALCIUM ION
AASP101-ASP102CA: CALCIUM ION
ATYR112CA: CALCIUM ION
AALA125CA: CALCIUM ION
ALEU161CA: CALCIUM ION
ATRP43CA: CALCIUM ION
ATYR74-PRO75CA: CALCIUM ION
AGLU121-PHE122CA: CALCIUM ION
APRO140CA: CALCIUM ION
ATYR162CA: CALCIUM ION
ALYS13CA: CALCIUM ION
ATYR142CA: CALCIUM ION
ALEU104CA: CALCIUM ION
APHE65-HIS70CA: CALCIUM ION
AHIS98-PHE99CA: CALCIUM ION
AILE158CA: CALCIUM ION
ATRP11CA: CALCIUM ION
AASN111CA: CALCIUM ION
AARG19-THR24CA: CALCIUM ION
APHE36CA: CALCIUM ION
AMET62-ASN64CA: CALCIUM ION
ASER97CA: CALCIUM ION
ALEU114CA: CALCIUM ION
AVAL117-ALA118CA: CALCIUM ION
AVAL32CA: CALCIUM ION
AALA35CA: CALCIUM ION
AALA39CA: CALCIUM ION
AGLY71-ASP72CA: CALCIUM ION
APHE115CA: CALCIUM ION
AALA119CA: CALCIUM ION

ZN_1hov_A_16645ZINC ION binding site
ChainResidueligand
ALEU83-PHE87ZN: ZINC ION
ASER97-PHE99ZN: ZINC ION
APHE115-PHE122ZN: ZINC ION
AHIS124ZN: ZINC ION
AHIS130ZN: ZINC ION
ALEU137-MET138ZN: ZINC ION
ATYR142ZN: ZINC ION
AGLY123ZN: ZINC ION
AALA136ZN: ZINC ION
AALA139-ILE141ZN: ZINC ION
ATHR143ZN: ZINC ION
ALEU82ZN: ZINC ION
AASP100ZN: ZINC ION
ATRP105ZN: ZINC ION
ATYR112-SER113ZN: ZINC ION
AGLU129ZN: ZINC ION
ASER131ZN: ZINC ION
ATYR144-THR145ZN: ZINC ION
ALEU114ZN: ZINC ION
ATRP43ZN: ZINC ION
AALA125ZN: ZINC ION
ALEU128ZN: ZINC ION
AGLY81ZN: ZINC ION
AASN64-GLY66ZN: ZINC ION
AASP101ZN: ZINC ION

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
PS0014210Neutral zinc metallopeptidases, zinc-binding region signature. [GSTALIVN]-{PCHR}-{KND}-H-E-[LIVMFYW]-{DEHRKP}-H-{EKPC}-[LIVMFYWGSPQ]
ChainResidueDetails
AVAL117-MET126

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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
SWS_FT_FI11By similarity.
ChainResidueDetails
ANA*

SWS_FT_FI24Calcium 4; via carbonyl oxygen
ChainResidueDetails
ANA*
ANA*
ANA*
ANA*

SWS_FT_FI32Calcium 1 (By similarity)
ChainResidueDetails
AASP26
AASP101

SWS_FT_FI42Calcium 2 (By similarity)
ChainResidueDetails
AASP60
AASP96

SWS_FT_FI54Zinc 1 (By similarity)
ChainResidueDetails
AHIS70
AASP72
AHIS85
AHIS98

SWS_FT_FI63Calcium 3 (By similarity)
ChainResidueDetails
AASP77
AASP100
AGLU103

SWS_FT_FI71Calcium 3; via carbonyl oxygen (By similarity)
ChainResidueDetails
AGLY78

SWS_FT_FI82Calcium 2; via carbonyl oxygen (By similarity)
ChainResidueDetails
AGLY92
AGLY94

SWS_FT_FI93Zinc 2; catalytic (By similarity)
ChainResidueDetails
ANA*
ANA*
ANA*

SWS_FT_FI101Zinc 2; in inhibited form (By similarity)
ChainResidueDetails
ANA*

extCATRES12Mapped from 1hfs to 1hov using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 94009624, 95405261
ChainResidueDetails
AGLU202activates water, cofactor or residue. activate water for nucleophilic attack on carbonyl carbon
AMET219activates water, cofactor or residue. enhances effective concentration of cofactor zn2+

CSA12Annotated By Reference To The Literature 1hfs
ChainResidueDetails
AGLU121
AMET138

CSA21Annotated By Reference To The Literature 1hfs
ChainResidueDetails
AGLU121

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Catalytic Information from CSA

site_idNumber of ResiduesDetails
CSA12Annotated By Reference To The Literature 1hfs
ChainResidueDetails
AGLU121
AMET138

CSA21Annotated By Reference To The Literature 1hfs
ChainResidueDetails
AGLU121