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6I9A

Porphyromonas gingivalis gingipain K (Kgp) in complex with inhibitor KYT-36

Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008233molecular_functionpeptidase activity
A0008234molecular_functioncysteine-type peptidase activity
B0006508biological_processproteolysis
B0008233molecular_functionpeptidase activity
B0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue NA A 703
ChainResidue
AALA543
ATHR544
ALEU546
ASER549
ATYR550
AASN551

site_idAC2
Number of Residues6
Detailsbinding site for residue NA A 704
ChainResidue
ASER537
AASP542
AHOH1150
ATYR402
AVAL521
ATHR536

site_idAC3
Number of Residues6
Detailsbinding site for residue CA A 705
ChainResidue
AASP337
AASP339
APHE341
AGLU343
AHOH907
AHOH919

site_idAC4
Number of Residues6
Detailsbinding site for residue CA A 706
ChainResidue
AASP313
APHE482
AGLU491
AHOH1063
AHOH1136
AHOH1191

site_idAC5
Number of Residues26
Detailsbinding site for residue H8E A 707
ChainResidue
ATRP391
ATHR442
AALA443
AHIS444
AGLY445
AALA451
AASN475
ACYS477
AILE478
AASN510
ASER511
ATYR512
ATRP513
AASP516
AHIS575
AHOH872
AHOH897
AHOH1106
AHOH1168
AHOH1479
BTYR389
BSER390
BTRP391
BGLN394
BHOH1181
BHOH1432

site_idAC6
Number of Residues19
Detailsbinding site for residue EPE A 708
ChainResidue
AARG243
ALYS253
ALEU260
ATYR269
ALEU270
AVAL272
ATYR274
AGLY634
AVAL635
ALEU636
ALYS654
AHOH803
AHOH818
AHOH974
AHOH976
AHOH1123
AHOH1188
AHOH1232
AHOH1314

site_idAC7
Number of Residues10
Detailsbinding site for residue GOL A 709
ChainResidue
ATHR282
AGLN615
ASER617
ATYR618
AHOH860
AHOH903
AHOH917
AHOH943
AHOH1046
AHOH1283

site_idAC8
Number of Residues9
Detailsbinding site for residue GOL A 710
ChainResidue
ATYR238
AASP548
ASER549
AASN551
AMET594
ASER669
AHOH889
AHOH915
AHOH1086

site_idAC9
Number of Residues9
Detailsbinding site for residue GOL A 711
ChainResidue
ATYR429
ASER430
AASN433
AGLN459
AALA462
ALEU463
AHOH876
AHOH954
AHOH1259

site_idAD1
Number of Residues6
Detailsbinding site for residue NA B 703
ChainResidue
BLEU546
BSER549
BTYR550
BASN551
BALA543
BTHR544

site_idAD2
Number of Residues6
Detailsbinding site for residue NA B 704
ChainResidue
BTYR402
BVAL521
BTHR536
BSER537
BASP542
BHOH1077

site_idAD3
Number of Residues6
Detailsbinding site for residue CA B 705
ChainResidue
BASP337
BASP339
BPHE341
BGLU343
BHOH881
BHOH913

site_idAD4
Number of Residues6
Detailsbinding site for residue CA B 706
ChainResidue
BASP313
BPHE482
BGLU491
BHOH1043
BHOH1137
BHOH1191

site_idAD5
Number of Residues24
Detailsbinding site for residue H8E B 707
ChainResidue
ATYR389
ASER390
ATRP391
AGLN394
AHOH1179
BTRP391
BTHR442
BALA443
BHIS444
BGLY445
BALA451
BASN475
BCYS477
BILE478
BASN510
BSER511
BTYR512
BTRP513
BASP516
BHIS575
BHOH876
BHOH896
BHOH1100
BHOH1237

site_idAD6
Number of Residues18
Detailsbinding site for residue EPE B 708
ChainResidue
BARG243
BLEU260
BTYR269
BLEU270
BVAL272
BTYR274
BVAL635
BLEU636
BHOH842
BHOH955
BHOH959
BHOH964
BHOH988
BHOH1036
BHOH1126
BHOH1201
BHOH1351
BHOH1520

site_idAD7
Number of Residues10
Detailsbinding site for residue DTV B 709
ChainResidue
BTYR425
BTHR426
BGLY427
BCYS428
BTYR429
BPRO453
BLEU454
BHOH960
BHOH1046
BHOH1345

site_idAD8
Number of Residues10
Detailsbinding site for residue GOL B 710
ChainResidue
BTYR238
BASP548
BSER549
BASN551
BMET594
BSER669
BHOH971
BHOH1016
BHOH1026
BHOH1190

site_idAD9
Number of Residues10
Detailsbinding site for residue GOL B 711
ChainResidue
BASN524
BVAL526
BVAL529
BPRO531
BTHR532
BGLY535
BTHR536
BHOH868
BHOH1053
BHOH1121

site_idAE1
Number of Residues8
Detailsbinding site for residue GOL B 712
ChainResidue
BTYR429
BSER430
BASN433
BGLN459
BHOH807
BHOH960
BHOH1022
BHOH1058

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor => ECO:0000305|PubMed:25266723
ChainResidueDetails
AHIS444
BHIS444

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Nucleophile => ECO:0000269|PubMed:25266723
ChainResidueDetails
ACYS477
BCYS477

site_idSWS_FT_FI3
Number of Residues14
DetailsBINDING: BINDING => ECO:0000269|PubMed:25266723, ECO:0007744|PDB:4RBM
ChainResidueDetails
AASP313
BASP339
BPHE341
BGLU343
BPHE482
BGLU491
AASP337
AASP339
APHE341
AGLU343
APHE482
AGLU491
BASP313
BASP337

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PDB entries from 2024-07-10

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