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3SSB

Structure of Insect Metalloproteinase Inhibitor in Complex with Thermolysin

Functional Information from GO Data
ChainGOidnamespacecontents
A0004222molecular_functionmetalloendopeptidase activity
A0006508biological_processproteolysis
B0004222molecular_functionmetalloendopeptidase activity
B0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL I 501
ChainResidue
AGLY109
ATYR110
AASN111
IASN60
IASP61
ILYS62
IHOH644
IHOH650

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 502
ChainResidue
BTYR110
BASN111
BHOH852
BHOH885
JASN60
BGLY109

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 503
ChainResidue
ATYR66
BSER218
BLYS219
BTYR251

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 999
ChainResidue
AHIS142
AHIS146
AGLU166
CASN56

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CA A 998
ChainResidue
AASP57
AASP59
AGLN61
AHOH599
AHOH600

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 997
ChainResidue
AASP138
AGLU177
AASP185
AGLU187
AGLU190
AHOH656

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 996
ChainResidue
ATYR193
ATHR194
AILE197
AASP200
AHOH659
AHOH695

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 995
ChainResidue
AGLU177
AASN183
AASP185
AGLU190
AHOH525
AHOH533

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 999
ChainResidue
BHIS142
BHIS146
BGLU166
DASN56

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 998
ChainResidue
BASP57
BASP59
BGLN61
BHOH722
BHOH725
BHOH969

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA B 997
ChainResidue
BASP138
BGLU177
BASP185
BGLU187
BGLU190
BHOH799
BNA995

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 996
ChainResidue
BTYR193
BTHR194
BILE197
BASP200
BHOH883
BHOH884

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE NA B 995
ChainResidue
BGLU177
BASN183
BASP185
BGLU190
BHOH795
BHOH797
BCA997

Functional Information from PROSITE/UniProt
site_idPS01186
Number of Residues15
DetailsEGF_2 EGF-like domain signature 2. CyCedGYardvngk.C
ChainResidueDetails
ICYS63-CYS77

site_idPS00142
Number of Residues10
DetailsZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VVAHELTHAV
ChainResidueDetails
AVAL139-VAL148

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsSITE: Cleavage => ECO:0000305
ChainResidueDetails
ISER88
JSER88

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Proton donor => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:4808703
ChainResidueDetails
AHIS231
BHIS231

site_idSWS_FT_FI3
Number of Residues32
DetailsBINDING:
ChainResidueDetails
AHIS142
AHIS146
AGLU166
AGLU177
AASN183
AASP185
AGLU187
AGLU190
ATYR193
ATHR194
AILE197
AASP200
BASP57
BASP59
BGLN61
BASP138
BHIS142
BHIS146
BGLU166
BGLU177
BASN183
BASP185
BGLU187
BGLU190
BTYR193
BTHR194
BILE197
BASP200
AASP57
AASP59
AGLN61
AASP138

Catalytic Information from CSA
site_idMCSA1
Number of Residues7
DetailsM-CSA 176
ChainResidueDetails
AHIS142metal ligand
AGLU143electrostatic stabiliser, metal ligand
AHIS146metal ligand
ATYR157electrostatic stabiliser, hydrogen bond donor, steric role
AGLU166metal ligand
AASP226activator, electrostatic stabiliser, hydrogen bond acceptor
AHIS231hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_idMCSA2
Number of Residues7
DetailsM-CSA 176
ChainResidueDetails
BHIS142metal ligand
BGLU143electrostatic stabiliser, metal ligand
BHIS146metal ligand
BTYR157electrostatic stabiliser, hydrogen bond donor, steric role
BGLU166metal ligand
BASP226activator, electrostatic stabiliser, hydrogen bond acceptor
BHIS231hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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PDB entries from 2024-05-15

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