Interactions for 2K04 — 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
Pro 2 56 N-term GLU 114 B Hydrophobic
Pro 2 56 N-term GLU 114 B VdWContact
Val 3 57 N-term ASN 111 B VdWContact
Ser 4 58 N-term TYR 112 B HBAcceptor
Ser 4 58 N-term TYR 112 B VdWContact
Ser 4 58 N-term ASN 111 B HBDonor
Ser 4 58 N-term ASN 111 B VdWContact
Pro 10 66 CX TYR 112 B Hydrophobic
Pro 10 66 CX TYR 112 B VdWContact
Pro 10 66 CX GLY 117 B VdWContact
Arg 12 68 N-loop GLY 117 B HBDonor
Arg 12 68 N-loop GLY 117 B VdWContact
Phe 13 69 N-loop ASP 120 B Hydrophobic
Phe 13 69 N-loop SER 118 B VdWContact
Phe 13 69 N-loop GLY 117 B HBDonor
Phe 13 69 N-loop GLY 117 B VdWContact
Phe 14 70 N-loop ASP 120 B VdWContact
Glu 15 71 N-loop ASP 120 B HBAcceptor
Glu 15 71 N-loop ASP 120 B VdWContact
Glu 15 71 N-loop SER 118 B VdWContact
Glu 15 71 N-loop GLY 119 B HBAcceptor
Glu 15 71 N-loop GLY 119 B VdWContact
Glu 15 71 N-loop TYR 121 B Hydrophobic
Glu 15 71 N-loop TYR 121 B VdWContact
Ser 16 72 N-loop ASP 122 B HBAcceptor
Ser 16 72 N-loop ASP 122 B VdWContact
Ser 16 72 N-loop TYR 121 B VdWContact
Ser 16 72 N-loop SER 123 B HBDonor
Ser 16 72 N-loop SER 123 B VdWContact
His 17 74 N-loop ASP 122 B Hydrophobic
His 17 74 N-loop ASP 122 B VdWContact
His 17 74 N-loop SER 123 B VdWContact
Val 18 75 N-loop TYR 121 B Hydrophobic
Val 18 75 N-loop TYR 121 B VdWContact
Ala 19 76 N-loop TYR 121 B Hydrophobic
Lys 27 87 B1 TYR 112 B HBDonor
Lys 27 87 B1 TYR 112 B VdWContact
Ile 28 88 B1 TYR 107 B HBAcceptor
Ile 28 88 B1 TYR 107 B VdWContact
Leu 29 89 B1 TYR 112 B Hydrophobic
Leu 29 89 B1 TYR 112 B VdWContact
Leu 29 89 B1 TYR 107 B VdWContact
Asn 30 90 30s-loop TYR 107 B Hydrophobic
Asn 30 90 30s-loop TYR 107 B VdWContact
Asn 30 90 30s-loop ILE 106 B VdWContact
Thr 31 91 30s-loop TYR 112 B Hydrophobic
Val 39 102 B2 TYR 112 B Hydrophobic
Arg 41 104 B2 GLU 115 B Cationic
Arg 47 114 40s-loop MET 116 B Hydrophobic
Arg 47 114 40s-loop MET 116 B VdWContact
Gln 48 115 B3 GLU 115 B HBDonor
Gln 48 115 B3 GLU 115 B VdWContact
Cys 50 117 B3 SER 118 B HBDonor
Cys 50 117 B3 SER 118 B VdWContact
Lys 54 121 50s-loop LYS 125 B VdWContact
Lys 54 121 50s-loop PRO 127 B VdWContact
Lys 54 121 50s-loop GLU 126 B Hydrophobic
Lys 54 121 50s-loop GLU 126 B VdWContact
Lys 56 123 Helix GLU 132 B HBDonor
Lys 56 123 Helix GLU 132 B VdWContact
Gln 59 126 Helix PRO 127 B Hydrophobic

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