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1MCC

PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS

Functional Information from PDB Data
site_idAC1
Number of Residues14
DetailsPEPTIDE BINDING SITE 1 IN CHAIN A
ChainResidue
ATHR23
AGLY24
ATHR25
ASER26
ASER27
AASP28
AVAL29
AGLY30
AGLY31
ATYR32
AASN33
ATYR34
AVAL35
ASER36

site_idAC2
Number of Residues6
DetailsPEPTIDE BINDING SITE 2 IN CHAIN A
ChainResidue
AILE50
ATYR51
AGLU52
AVAL53
AASN54
ALYS55

site_idAC3
Number of Residues10
DetailsPEPTIDE BINDING SITE 3 IN CHAIN A
ChainResidue
ASER91
ASER92
ATYR93
AGLU94
AGLY95
ASER96
AASP97
AASN98
APHE99
AVAL100

site_idBC1
Number of Residues14
DetailsPEPTIDE BINDING SITE 1 IN CHAIN B
ChainResidue
BTHR23
BGLY24
BTHR25
BSER26
BSER27
BASP28
BVAL29
BGLY30
BGLY31
BTYR32
BASN33
BTYR34
BVAL35
BSER36

site_idBC2
Number of Residues6
DetailsPEPTIDE BINDING SITE 2 IN CHAIN B
ChainResidue
BILE50
BTYR51
BGLU52
BVAL53
BASN54
BLYS55

site_idBC3
Number of Residues10
DetailsPEPTIDE BINDING SITE 3 IN CHAIN B
ChainResidue
BSER91
BSER92
BTYR93
BGLU94
BGLY95
BSER96
BASP97
BASN98
BPHE99
BVAL100

site_idSC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACE P 0
ChainResidue
APHE99
BTYR38
BVAL48
PGLN1

site_idSC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE DPN P 2
ChainResidue
PGLN1
PHIS3
PDPR4
BTYR34
BVAL35
BSER36
BGLU52
BTYR93

site_idSC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DPR P 4
ChainResidue
ATYR34
BTYR34
BTYR93
PDPN2
PHIS3
PNH25

site_idSC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE NH2 P 5
ChainResidue
BTYR34
PDPR4

Functional Information from PROSITE/UniProt
site_idPS00290
Number of Residues7
DetailsIG_MHC Immunoglobulins and major histocompatibility complex proteins signature. YSCQVTH
ChainResidueDetails
ATYR195-HIS201

221716

PDB entries from 2024-06-26

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