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3Q2G

Adamts1 in complex with a novel N-hydroxyformamide inhibitors

Functional Information from GO Data
ChainGOidnamespacecontents
A0004222molecular_functionmetalloendopeptidase activity
A0006508biological_processproteolysis
A0008237molecular_functionmetallopeptidase activity
B0004222molecular_functionmetalloendopeptidase activity
B0006508biological_processproteolysis
B0008237molecular_functionmetallopeptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues15
DetailsBINDING SITE FOR RESIDUE QGF A 1
ChainResidue
ATHR117
AHIS153
AHIS159
ASER180
ALEU182
APHE274
AZN401
ALEU118
AGLY119
AALA121
AVAL123
APHE145
ATHR146
AHIS149
AGLU150

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 401
ChainResidue
AQGF1
AHIS149
AHIS153
AHIS159

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CD A 501
ChainResidue
AGLU9
AASP92
AASP213
AHOH344
AHOH362

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CD A 502
ChainResidue
AGLU63
AGLU68
ANI609

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE NI A 504
ChainResidue
AHIS28
BASP231
BHOH342

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CD A 601
ChainResidue
AGLU9
AASP92
AASP99
ACYS210
AASP213
AHOH352

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CD A 602
ChainResidue
AASP231
AHOH361
BHIS28

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NI A 607
ChainResidue
AHIS61
AHOH359
AHOH360
BGLU242

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE NI A 609
ChainResidue
AGLU63
AGLU68
ACD502

site_idBC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE NI A 611
ChainResidue
AHIS176

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE NI A 612
ChainResidue
AGLU242
AASP243
BHIS61

site_idBC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE NI A 613
ChainResidue
AHIS246

site_idBC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE NI A 615
ChainResidue
AHIS273
BLEU267

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG A 621
ChainResidue
AHIS187
AASP278
AASN290

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE NA A 701
ChainResidue
AASP108
ALEU109
ACYS115
ATHR117
AGLU137
AHOH373
AHOH374

site_idBC7
Number of Residues14
DetailsBINDING SITE FOR RESIDUE QGF B 2
ChainResidue
BLEU118
BGLY119
BMET120
BVAL123
BGLN142
BPHE145
BTHR146
BHIS149
BGLU150
BHIS153
BHIS159
BSER180
BLEU182
BZN402

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 402
ChainResidue
BQGF2
BHIS149
BHIS153
BHIS159

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NI B 503
ChainResidue
AGLU242
AHOH364
BHIS61
BHOH341

site_idCC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NI B 604
ChainResidue
AHIS61
AHOH345
BGLU242
BASP243

site_idCC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CD B 605
ChainResidue
BGLU9
BASP92
BASP213

site_idCC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NI B 606
ChainResidue
BGLU9
BASP92
BASP99
BCYS210
BASP213
BHOH303

site_idCC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE NI B 617
ChainResidue
BHOH311
BHIS176

site_idCC5
Number of Residues1
DetailsBINDING SITE FOR RESIDUE NI B 618
ChainResidue
BHIS207

site_idCC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE NI B 619
ChainResidue
BHIS246

site_idCC7
Number of Residues1
DetailsBINDING SITE FOR RESIDUE NI B 505
ChainResidue
BHIS187

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGeDSKHCPD
ChainResidueDetails
APHE240-ASP249

site_idPS00142
Number of Residues10
DetailsZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. TTAHELGHVF
ChainResidueDetails
ATHR146-PHE155

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU00276, ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:17897672
ChainResidueDetails
AGLU150
BGLU150

site_idSWS_FT_FI2
Number of Residues16
DetailsBINDING: BINDING => ECO:0000269|PubMed:17897672
ChainResidueDetails
AHIS153
AHIS159
ACYS210
AASP213
BGLU9
BASP92
BASP99
BHIS149
BHIS153
BHIS159
BCYS210
BASP213
AGLU9
AASP92
AASP99
AHIS149

site_idSWS_FT_FI3
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN295
BASN295

221051

PDB entries from 2024-06-12

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