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2AOB

Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain

Functional Information from PDB Data
site_idAC1
Number of Residues19
DetailsBINDING SITE FOR RESIDUE S1S A 1201
ChainResidue
AARG67
ALYS109
ALEU120
AHOH1719
AHOH1726
AHOH1791
AHOH1792
AHOH1793
CS1S2201
CHOH2634
DARG142
AARG86
ASER88
AGLU89
ASER90
ASER96
AGLN106
AHIS107
APHE108

site_idAC2
Number of Residues24
DetailsBINDING SITE FOR RESIDUE S1S B 1301
ChainResidue
AS1S1501
AHOH1703
AHOH1708
AHOH1733
BARG67
BARG86
BSER96
BGLN106
BHIS107
BPHE108
BLYS109
BLEU111
BLEU120
BTRP121
BHOH1309
BHOH1330
BHOH1344
CASN143
CS1S2401
CS1S2501
CHOH2648
DS1S2301
DHOH2702
DHOH2706

site_idAC3
Number of Residues19
DetailsBINDING SITE FOR RESIDUE S1S A 1401
ChainResidue
AASP113
AALA115
ALYS117
AARG142
AS1S1501
AHOH1703
AHOH1712
AHOH1764
AHOH1784
BTRP121
BVAL122
BLYS124
BPHE125
BGLU130
BHOH1302
BHOH1307
DLYS109
DLEU111
DS1S2301

site_idAC4
Number of Residues13
DetailsBINDING SITE FOR RESIDUE S1S A 1501
ChainResidue
AGLY114
ALYS117
AS1S1401
AHOH1706
AHOH1764
BASN126
BS1S1301
BHOH1341
CS1S2501
CHOH2692
DARG112
DS1S2301
DHOH2762

site_idAC5
Number of Residues15
DetailsBINDING SITE FOR RESIDUE S1S A 1601
ChainResidue
APHE61
AGLU87
AGLY93
APHE95
ATYR118
AS1S1701
AHOH1704
AHOH1740
AHOH1802
BSER127
BLEU128
CPHE62
CLYS64
CILE65
CPRO66

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE S1S A 1701
ChainResidue
AHIS58
APHE61
AS1S1601
AHOH1805
AHOH1806
AHOH1812
BASN126
BSER127
CLYS69

site_idAC7
Number of Residues18
DetailsBINDING SITE FOR RESIDUE S1S C 2201
ChainResidue
AS1S1201
AHOH1748
BARG142
CARG67
CARG86
CSER88
CGLU89
CSER90
CSER96
CHIS107
CPHE108
CLYS109
CLEU120
CHOH2623
CHOH2625
CHOH2628
CHOH2634
CHOH2695

site_idAC8
Number of Residues23
DetailsBINDING SITE FOR RESIDUE S1S D 2301
ChainResidue
AARG142
AASN143
AS1S1401
AS1S1501
AHOH1708
BS1S1301
BHOH1309
CS1S2501
CHOH2603
CHOH2607
DARG67
DARG86
DSER96
DGLN106
DHIS107
DPHE108
DLYS109
DLEU111
DLEU120
DTRP121
DHOH2702
DHOH2706
DHOH2748

site_idAC9
Number of Residues18
DetailsBINDING SITE FOR RESIDUE S1S C 2401
ChainResidue
BLYS109
BLEU111
BS1S1301
CASP113
CALA115
CLYS117
CARG142
CS1S2501
CHOH2607
CHOH2676
CHOH2688
CHOH2689
DTRP121
DVAL122
DLYS124
DPHE125
DGLU130
DHOH2713

site_idBC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE S1S C 2501
ChainResidue
AS1S1501
BARG112
BS1S1301
CALA115
CLYS117
CS1S2401
CHOH2630
DASN126
DS1S2301

site_idBC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE S1S C 2601
ChainResidue
APHE62
ALYS64
AILE65
APRO66
CGLU87
CGLY93
CPHE95
CTYR118
CHOH2605
CHOH2610
CHOH2612
CHOH2635
DSER127
DLEU128
DS1S2701

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE S1S D 2701
ChainResidue
ALYS69
CHIS58
CPHE61
CS1S2601
DASN126
DSER127
DHOH2765

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsModified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues8
DetailsCross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"34348893","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

238895

PDB entries from 2025-07-16

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