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3ZUK

CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ZINC METALLOPROTEASE ZMP1 IN COMPLEX WITH INHIBITOR

Functional Information from GO Data
ChainGOidnamespacecontents
A0004222molecular_functionmetalloendopeptidase activity
A0005886cellular_componentplasma membrane
A0006508biological_processproteolysis
A0008233molecular_functionpeptidase activity
A0008237molecular_functionmetallopeptidase activity
A0009274cellular_componentpeptidoglycan-based cell wall
A0016485biological_processprotein processing
A0016787molecular_functionhydrolase activity
A0046872molecular_functionmetal ion binding
B0004222molecular_functionmetalloendopeptidase activity
B0005886cellular_componentplasma membrane
B0006508biological_processproteolysis
B0008233molecular_functionpeptidase activity
B0008237molecular_functionmetallopeptidase activity
B0009274cellular_componentpeptidoglycan-based cell wall
B0016485biological_processprotein processing
B0016787molecular_functionhydrolase activity
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 1664
ChainResidue
AHIS493
AHIS497
AGLU560
ARDF1665

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 1664
ChainResidue
BHIS493
BHIS497
BGLU560
BRDF1665

site_idAC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE RDF B 1665
ChainResidue
BASN452
BALA453
BTYR454
BILE468
BHIS493
BGLU494
BHIS497
BGLU560
BHIS622
BARG628
BZN1664
BACT1691
BHOH2071
BHOH2171
BPHE48

site_idAC4
Number of Residues17
DetailsBINDING SITE FOR RESIDUE RDF A 1665
ChainResidue
APHE48
AVAL451
AASN452
AALA453
ATYR454
AHIS493
AGLU494
AHIS497
AGLU560
AARG616
AHIS622
AARG628
AZN1664
A2111666
APGE1684
AACT1689
AHOH2148

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE 211 A 1666
ChainResidue
AARG615
AARG616
AASP620
ARDF1665

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PEG B 1666
ChainResidue
BARG126
BTHR248
BALA249

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PEG A 1667
ChainResidue
APRO6
ASER7
AGLY8
AASP10

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PEG B 1667
ChainResidue
BGLN153
BSER154
BGLY155
BILE156
BARG219
BHOH2051

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PEG A 1668
ChainResidue
APHE52
AVAL329
AGLU333
AGLN449

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PEG B 1668
ChainResidue
BSER162
BASP166
BHIS169
BILE614
BLEU617
BALA618
BHOH2140

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PEG A 1669
ChainResidue
ASER86
APRO100
ATRP298
AASP414
AASP415
ALEU416
ATYR417

site_idBC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE PEG A 1670
ChainResidue
AALA77
AHOH2019

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PEG A 1671
ChainResidue
AASN227
ALEU228
AARG229

site_idBC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PEG A 1672
ChainResidue
AGLN641
AASP644
AVAL645
APGE1683
BGLN576
BLEU577
BASN580
BGLY581

site_idBC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE PEG B 1669
ChainResidue
BGLN576
BALA638

site_idBC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PEG B 1670
ChainResidue
AGLN534
AARG634
AARG657
APEG1679
BASP545
BPRO547
BGLY548

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PEG B 1671
ChainResidue
BALA127
BALA425
BTHR123
BARG126

site_idBC9
Number of Residues1
DetailsBINDING SITE FOR RESIDUE PEG B 1672
ChainResidue
BASP15

site_idCC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PEG A 1673
ChainResidue
AASP479
AGLU480
AHOH2117
AHOH2139
BILE5
BASP479

site_idCC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PEG B 1673
ChainResidue
BASP138
BTHR139
BSER141
BASN456
BPRO457
BGLY458
BTYR506

site_idCC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE PEG A 1674
ChainResidue
AARG126

site_idCC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PEG B 1674
ChainResidue
BLYS354
BASP358
BALA395
BLYS396
BVAL397
BTYR399
BILE401
BTRP444

site_idCC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PEG A 1675
ChainResidue
ATHR152
AARG219
AARG263

site_idCC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PEG A 1676
ChainResidue
AALA613
AARG616
ALEU617
AASP620
AHIS622
ASER623
APRO624
APRO625
AHOH2147

site_idCC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PEG A 1677
ChainResidue
AASP358
AASP362
AALA395

site_idCC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PEG A 1678
ChainResidue
AASP17
AALA18
AARG19
AASP22
AASP23
APEG1680
AACT1688

site_idCC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PEG B 1675
ChainResidue
AASN582
BALA4
BSER7
BASP588

site_idDC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PEG B 1676
ChainResidue
AVAL544
AASP545
BASP22
BARG541
BGLU626
BPHE627
BASN630
BLEU651

site_idDC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PEG A 1679
ChainResidue
AGLU533
AGLN534
AARG657
BPEG1670

site_idDC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PEG B 1677
ChainResidue
BVAL216
BARG220
BACT1694
BSO41697

site_idDC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEG B 1678
ChainResidue
BLYS392
BASP507
BGLY508
BVAL513
BHOH2105

site_idDC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PEG A 1680
ChainResidue
AASP22
APEG1678
BASP545

site_idDC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PEG B 1679
ChainResidue
AGLU116
BASN227
BARG229

site_idDC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PEG A 1681
ChainResidue
AASN363
AALA574
ALEU577
AASN580

site_idDC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PEG B 1680
ChainResidue
BPHE349
BALA353
BLYS354

site_idDC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PGE B 1681
ChainResidue
AASN580
BHIS27
BGLY589
BGLN594
BPG41685
BPG41685

site_idEC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PGE A 1682
ChainResidue
AGLU374
ALEU573
BASP637
BARG658
BHOH2161
BHOH2163

site_idEC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PGE B 1682
ChainResidue
BASP221
BASP501
BLYS505
BASP514
BTRP516

site_idEC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PGE A 1683
ChainResidue
AASP637
AGLN641
AARG658
APEG1672

site_idEC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PGE A 1684
ChainResidue
ATYR454
ATYR455
AHIS497
ARDF1665

site_idEC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PGE B 1683
ChainResidue
ALEU579
AALA584
AHOH2144
BLEU579
BALA584
BACT1687
BHOH2150

site_idEC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PGE A 1685
ChainResidue
AGLN319
ALYS607
AARG609
BASP648

site_idEC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PGE A 1686
ChainResidue
AALA16
AHIS27
AASP588
AGLY589
AGLN594
AHOH2006

site_idEC8
Number of Residues12
DetailsBINDING SITE FOR RESIDUE PG4 B 1684
ChainResidue
BPRO540
BASP542
BGLN553
BTHR557
BALA613
BARG616
BLEU617
BASP620
BHIS622
BPRO624
BGLU626
BHOH2153

site_idEC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PG4 A 1687
ChainResidue
AHIS13
ATRP32
AGLU35
AHIS36
AASP45
ASER50

site_idFC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PG4 B 1685
ChainResidue
BLEU11
BALA16
BARG19
BHIS27
BPGE1681
BPGE1681
BHOH2010
BHOH2149

site_idFC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PG4 B 1686
ChainResidue
AVAL544
AASP545
AHIS546
AHOH2133
BGLN534
BTYR538
BARG634
BARG657

site_idFC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 1687
ChainResidue
AGLY581
BTHR591
BMET593
BPGE1683
BHOH2150
BHOH2173

site_idFC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 1688
ChainResidue
AASP15
AGLY30
AARG541
APEG1678

site_idFC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 1688
ChainResidue
BTYR147
BALA256
BMET257
BTHR258

site_idFC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT A 1689
ChainResidue
APHE445
ARDF1665

site_idFC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT B 1689
ChainResidue
BASP15
BGLY30

site_idFC8
Number of Residues1
DetailsBINDING SITE FOR RESIDUE ACT B 1690
ChainResidue
BASP10

site_idFC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 1691
ChainResidue
BTYR455
BHIS497
BRDF1665
BACT1694

site_idGC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT B 1692
ChainResidue
BGLN125
BGLY134
BVAL135

site_idGC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 1693
ChainResidue
AACT1691
BASP479
BTYR575
BLEU579
BPRO585

site_idGC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT A 1690
ChainResidue
ATRP516
AARG521

site_idGC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 1691
ChainResidue
AILE5
BASN582
BACT1693

site_idGC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 1694
ChainResidue
BHIS497
BPEG1677
BACT1691
BHOH2073

site_idGC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 1692
ChainResidue
AGLN125
AVAL129
AVAL135

site_idGC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1695
ChainResidue
ALEU577
AASN580
BASP644
BVAL645
BHOH2163

site_idGC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1693
ChainResidue
AHIS536
AHIS551
AVAL552
AGLN553
AGLY554
AALA555
AHOH2159

site_idGC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1696
ChainResidue
BILE532
BHIS536
BGLN553
BGLY554
BALA555

site_idHC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1697
ChainResidue
BTHR152
BARG219
BARG263
BPEG1677
BHOH2045

site_idHC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1694
ChainResidue
AARG42
AALA43
AARG49
AHOH2086

site_idHC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 1698
ChainResidue
BARG42
BALA43
BTHR44
BARG49

site_idHC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 1699
ChainResidue
BASP242
BILE411

site_idHC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 1695
ChainResidue
ATYR147
ALEU435

site_idHC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA B 1700
ChainResidue
BASP113
BGLU116
BASP412
BASP414

Functional Information from PROSITE/UniProt
site_idPS00142
Number of Residues10
DetailsZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VIGHEIGHGF
ChainResidueDetails
AVAL490-PHE499

247947

PDB entries from 2026-01-21

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