Interactions for 2K05 — Binding Partner: CXCR4 N-terminal peptide


Structure details


  • Chemokine Chain: A
  • Partner Chain: B

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Chemokine diagram


N T P N C A C Q 30s-loop K N N N R 40s-loop D P K L 50s-loopC-term K P V S L S Y R C P C R F F E S H V A R A N N-term L I K L H K V I V A R L I C V Q K W I Q E Y L E K C L N K
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Interactions for this Binding Partner


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Chemokine Residue Generic Number Segment Partner Residue Partner Chain Interaction Type
Leu 5 59 N-term ASP 110 B VdWContact
Leu 5 59 N-term THR 108 B Hydrophobic
Leu 5 59 N-term THR 108 B VdWContact
Ser 6 60 N-term ASP 110 B HBDonor
Ser 6 60 N-term ASP 110 B VdWContact
Arg 8 62 N-term ASP 110 B HBDonor
Arg 8 62 N-term ASP 110 B Cationic
Arg 8 62 N-term ASP 110 B VdWContact
Pro 10 66 CX TYS 112 B Hydrophobic
Pro 10 66 CX TYS 112 B VdWContact
Phe 13 69 N-loop SER 118 B VdWContact
Phe 14 70 N-loop SER 123 B HBAcceptor
Phe 14 70 N-loop SER 123 B VdWContact
Glu 15 71 N-loop SER 123 B HBAcceptor
Glu 15 71 N-loop SER 123 B VdWContact
Glu 15 71 N-loop ASP 122 B HBAcceptor
Glu 15 71 N-loop ASP 122 B VdWContact
Glu 15 71 N-loop TYS 121 B Hydrophobic
Glu 15 71 N-loop TYS 121 B HBAcceptor
Glu 15 71 N-loop TYS 121 B VdWContact
Glu 15 71 N-loop ASP 120 B HBAcceptor
Glu 15 71 N-loop ASP 120 B VdWContact
Ser 16 72 N-loop SER 123 B VdWContact
His 17 74 N-loop LYS 125 B Hydrophobic
His 17 74 N-loop ASP 122 B Hydrophobic
His 17 74 N-loop ASP 122 B VdWContact
His 17 74 N-loop TYS 121 B VdWContact
Val 18 75 N-loop TYS 121 B Hydrophobic
Asn 22 82 N-loop TYS 121 B HBDonor
Asn 22 82 N-loop TYS 121 B VdWContact
Lys 27 87 B1 TYS 112 B Hydrophobic
Lys 27 87 B1 TYS 112 B VdWContact
Leu 29 89 B1 SER 109 B VdWContact
Leu 29 89 B1 TYS 112 B Hydrophobic
Asn 30 90 30s-loop ILE 106 B Hydrophobic
Asn 30 90 30s-loop ILE 106 B VdWContact
Asn 30 90 30s-loop SER 109 B HBAcceptor
Asn 30 90 30s-loop SER 109 B VdWContact
Asn 30 90 30s-loop TYS 107 B Hydrophobic
Asn 30 90 30s-loop TYS 107 B HBDonor
Asn 30 90 30s-loop TYS 107 B VdWContact
Thr 31 91 30s-loop ILE 106 B VdWContact
Pro 32 92 30s-loop ILE 106 B Hydrophobic
Val 39 102 B2 TYS 112 B VdWContact
Arg 41 104 B2 GLU 114 B HBDonor
Arg 41 104 B2 GLU 114 B Cationic
Arg 41 104 B2 GLU 114 B VdWContact
Asn 46 113 40s-loop TYS 121 B HBDonor
Asn 46 113 40s-loop TYS 121 B VdWContact
Arg 47 114 40s-loop TYS 121 B Cationic
Arg 47 114 40s-loop TYS 121 B VdWContact
Arg 47 114 40s-loop ASP 120 B HBDonor
Arg 47 114 40s-loop ASP 120 B Cationic
Arg 47 114 40s-loop ASP 120 B VdWContact
Gln 48 115 B3 GLU 115 B HBAcceptor
Gln 48 115 B3 GLU 115 B HBDonor
Gln 48 115 B3 GLU 115 B VdWContact
Gln 48 115 B3 GLU 114 B VdWContact
Val 49 116 B3 TYS 121 B Hydrophobic
Lys 54 121 50s-loop PRO 127 B Hydrophobic
Lys 54 121 50s-loop PRO 127 B VdWContact
Lys 54 121 50s-loop LYS 125 B HBDonor
Lys 54 121 50s-loop LYS 125 B VdWContact
Lys 56 123 Helix GLU 132 B Hydrophobic
Lys 56 123 Helix GLU 132 B HBDonor
Lys 56 123 Helix GLU 132 B Cationic
Lys 56 123 Helix GLU 132 B VdWContact
Gln 59 126 Helix PRO 127 B Hydrophobic
Glu 63 130 Helix ARG 130 B HBAcceptor
Glu 63 130 Helix ARG 130 B Anionic
Glu 63 130 Helix ARG 130 B VdWContact

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