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5V2O

De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures

Functional Information from PDB Data
site_idAC1
Number of Residues5
Detailsbinding site for residue SO4 A 101
ChainResidue
AARG30
AARG50
AHOH211
AHOH238
BASN46

site_idAC2
Number of Residues12
Detailsbinding site for residue 2PE A 102
ChainResidue
CGLY1
CASP3
CASN19
CSER20
CGLY21
CGLY22
CHOH207
EGLU7
ALEU35
AHOH242
AHOH247
AHOH251

site_idAC3
Number of Residues6
Detailsbinding site for residue TMM A 103
ChainResidue
ACYS11
ATHR12
ALEU15
ACYS31
ACYS51
ALEU55

site_idAC4
Number of Residues8
Detailsbinding site for residue SO4 B 101
ChainResidue
AARG50
ALYS53
BARG30
BARG50
BLYS53
BHOH201
BHOH208
BHOH244

site_idAC5
Number of Residues11
Detailsbinding site for residue 2PE B 102
ChainResidue
BGLY1
BGLY2
BASP3
BASN19
BSER20
BGLY21
BGLY22
BHOH228
BHOH230
DLEU35
DASN36

site_idAC6
Number of Residues3
Detailsbinding site for residue SO4 C 101
ChainResidue
CARG30
CARG50
CHOH203

site_idAC7
Number of Residues10
Detailsbinding site for residue GOL C 102
ChainResidue
BGLY1
BASN59
BSER60
CASN59
CHOH202
CHOH206
EASN46
EALA49
EARG50
ELYS53

site_idAC8
Number of Residues14
Detailsbinding site for residue 2PE C 103
ChainResidue
AGLY1
AGLY2
AASP3
AASN19
ASER20
AGLY21
AGLY22
AASP23
AHOH221
AHOH240
CLEU35
CASN36
CHOH233
FASP3

site_idAC9
Number of Residues5
Detailsbinding site for residue SO4 D 101
ChainResidue
DASN26
DARG30
DARG50
DHOH223
DHOH244

site_idAD1
Number of Residues8
Detailsbinding site for residue GOL D 102
ChainResidue
AASN59
ASER60
DASN59
DHOH205
DHOH208
DHOH237
FARG50
FLYS53

site_idAD2
Number of Residues12
Detailsbinding site for residue 2PE D 103
ChainResidue
BLEU35
DGLY1
DASP3
DASN19
DSER20
DGLY21
DGLY22
DHOH201
DHOH231
DHOH235
DHOH245
FILE8

site_idAD3
Number of Residues4
Detailsbinding site for residue SO4 E 101
ChainResidue
EGLY42
EASP43
EASN46
EARG50

site_idAD4
Number of Residues8
Detailsbinding site for residue GOL E 102
ChainResidue
EGLY21
ELEU24
EALA25
EHOH201
EHOH220
EHOH240
FHOH212
AHOH219

site_idAD5
Number of Residues2
Detailsbinding site for residue SO4 F 101
ChainResidue
FARG10
FLYS13

site_idAD6
Number of Residues5
Detailsbinding site for residue SO4 F 102
ChainResidue
EASP43
ELEU44
FASN26
FALA29
FARG30

site_idAD7
Number of Residues11
Detailsbinding site for Di-peptide TMM B 103 and CYS B 11
ChainResidue
BGLU7
BILE8
BALA9
BARG10
BTHR12
BLYS13
BLEU14
BLEU15
BCYS31
BCYS51
BLEU55

site_idAD8
Number of Residues13
Detailsbinding site for Di-peptide TMM B 103 and CYS B 31
ChainResidue
BCYS11
BTHR12
BLEU15
BGLU27
BILE28
BALA29
BARG30
BTHR32
BLYS33
BLEU34
BLEU35
BCYS51
BLEU55

site_idAD9
Number of Residues13
Detailsbinding site for Di-peptide TMM B 103 and CYS B 51
ChainResidue
BCYS11
BTHR12
BLEU15
BARG30
BCYS31
BGLU47
BILE48
BALA49
BARG50
BTHR52
BLYS53
BLEU54
BLEU55

site_idAE1
Number of Residues12
Detailsbinding site for Di-peptide TMM C 104 and CYS C 11
ChainResidue
CGLU7
CILE8
CALA9
CARG10
CTHR12
CLYS13
CLEU14
CLEU15
CCYS31
CCYS51
CLEU55
CLEU58

site_idAE2
Number of Residues12
Detailsbinding site for Di-peptide TMM C 104 and CYS C 31
ChainResidue
CCYS11
CTHR12
CGLU27
CILE28
CALA29
CARG30
CTHR32
CLYS33
CLEU34
CLEU35
CCYS51
CLEU55

site_idAE3
Number of Residues11
Detailsbinding site for Di-peptide TMM C 104 and CYS C 51
ChainResidue
CCYS11
CTHR12
CCYS31
CGLU47
CILE48
CALA49
CARG50
CTHR52
CLYS53
CLEU54
CLEU55

site_idAE4
Number of Residues11
Detailsbinding site for Di-peptide TMM D 104 and CYS D 31
ChainResidue
DCYS11
DTHR12
DGLU27
DILE28
DALA29
DARG30
DTHR32
DLYS33
DLEU34
DLEU35
DCYS51

site_idAE5
Number of Residues11
Detailsbinding site for Di-peptide TMM D 104 and CYS D 51
ChainResidue
DCYS11
DTHR12
DCYS31
DGLU47
DILE48
DALA49
DARG50
DTHR52
DLYS53
DLEU54
DLEU55

site_idAE6
Number of Residues11
Detailsbinding site for Di-peptide TMM D 104 and CYS D 11
ChainResidue
DGLU7
DILE8
DALA9
DARG10
DTHR12
DLYS13
DLEU14
DLEU15
DCYS31
DCYS51
DLEU58

site_idAE7
Number of Residues13
Detailsbinding site for Di-peptide TMM E 103 and CYS E 31
ChainResidue
EALA9
ECYS11
EGLU27
EILE28
EALA29
EARG30
ETHR32
ELYS33
ELEU34
ELEU35
ECYS51
ETHR52
ELEU55

site_idAE8
Number of Residues11
Detailsbinding site for Di-peptide TMM E 103 and CYS E 51
ChainResidue
EALA9
ECYS11
ECYS31
EGLU47
EILE48
EALA49
EARG50
ETHR52
ELYS53
ELEU54
ELEU55

site_idAE9
Number of Residues11
Detailsbinding site for Di-peptide TMM E 103 and CYS E 11
ChainResidue
EALA5
EALA9
EARG10
ETHR12
ELYS13
ELEU14
ELEU15
ECYS31
ECYS51
ETHR52
ELEU55

site_idAF1
Number of Residues12
Detailsbinding site for Di-peptide TMM F 103 and CYS F 31
ChainResidue
FALA9
FCYS11
FGLU27
FILE28
FALA29
FARG30
FTHR32
FLYS33
FLEU34
FLEU35
FCYS51
FTHR52

site_idAF2
Number of Residues11
Detailsbinding site for Di-peptide TMM F 103 and CYS F 51
ChainResidue
FALA9
FCYS11
FCYS31
FGLU47
FILE48
FALA49
FARG50
FTHR52
FLYS53
FLEU54
FLEU55

site_idAF3
Number of Residues10
Detailsbinding site for Di-peptide TMM F 103 and CYS F 11
ChainResidue
FALA5
FALA9
FARG10
FTHR12
FLYS13
FLEU14
FLEU15
FCYS31
FCYS51
FTHR52

238582

PDB entries from 2025-07-09

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