Interactions for 4OIJ (chain A)
Structure details
- PDB ID: 4OIJ open_in_new
- Protein: CCL1_HUMAN
- Organism: Homo sapiens
- UniProt ID: P22362 open_in_new
- Method: X-ray
- Resolution: 2.0 Å
- Date: May 7, 2014
- Reference: 10.1002/ANIE.201400679 open_in_new
- State: dimer
Chemokine diagram
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Interactions found in structure
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| Chemokine Residue | Generic number | Segment | Partner Residue | Partner | Interaction Type |
|---|---|---|---|---|---|
| Met 4 | 56 | N-term | LEU 44 | C-C motif chemokine 1 (B) | Hydrophobic |
| Met 4 | 56 | N-term | ALA 24 | C-C motif chemokine 1 (B) | Hydrophobic |
| Met 4 | 56 | N-term | ILE 20 | C-C motif chemokine 1 (B) | Hydrophobic |
| Met 4 | 56 | N-term | ILE 20 | C-C motif chemokine 1 (B) | VdWContact |
| Gln 5 | 57 | N-term | LYS 48 | C-C motif chemokine 1 (B) | VdWContact |
| Val 6 | 58 | N-term | ALA 50 | C-C motif chemokine 1 (B) | Hydrophobic |
| Val 6 | 58 | N-term | CYS 51 | C-C motif chemokine 1 (B) | HBAcceptor |
| Val 6 | 58 | N-term | CYS 51 | C-C motif chemokine 1 (B) | VdWContact |
| Val 6 | 58 | N-term | ALA 16 | C-C motif chemokine 1 (B) | Hydrophobic |
| Val 6 | 58 | N-term | ALA 16 | C-C motif chemokine 1 (B) | VdWContact |
| Val 6 | 58 | N-term | GLU 49 | C-C motif chemokine 1 (B) | HBDonor |
| Val 6 | 58 | N-term | GLU 49 | C-C motif chemokine 1 (B) | VdWContact |
| Phe 8 | 60 | N-term | CYS 51 | C-C motif chemokine 1 (B) | VdWContact |
| Phe 8 | 60 | N-term | ILE 41 | C-C motif chemokine 1 (B) | Hydrophobic |
| Phe 8 | 60 | N-term | GLU 49 | C-C motif chemokine 1 (B) | Hydrophobic |
| Phe 8 | 60 | N-term | GLU 49 | C-C motif chemokine 1 (B) | VdWContact |
| Phe 8 | 60 | N-term | ARG 10 | C-C motif chemokine 1 (B) | Hydrophobic |
| Phe 8 | 60 | N-term | UNL 1 | SULFATE ION (None) | VdWContact |
| Phe 8 | 60 | N-term | UNL 1 | SULFATE ION (None) | VdWContact |
| Ser 9 | 61 | N-term | CYS 11 | C-C motif chemokine 1 (B) | HBAcceptor |
| Ser 9 | 61 | N-term | CYS 11 | C-C motif chemokine 1 (B) | HBDonor |
| Ser 9 | 61 | N-term | CYS 11 | C-C motif chemokine 1 (B) | VdWContact |
| Arg 10 | 62 | N-term | PHE 8 | C-C motif chemokine 1 (B) | Hydrophobic |
| Arg 10 | 62 | N-term | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Arg 10 | 62 | N-term | UNL 1 | SULFATE ION (None) | Anionic |
| Arg 10 | 62 | N-term | UNL 1 | SULFATE ION (None) | VdWContact |
| Arg 10 | 62 | N-term | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Arg 10 | 62 | N-term | UNL 1 | SULFATE ION (None) | Anionic |
| Arg 10 | 62 | N-term | UNL 1 | SULFATE ION (None) | VdWContact |
| Arg 10 | 62 | N-term | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Arg 10 | 62 | N-term | UNL 1 | SULFATE ION (None) | Anionic |
| Arg 10 | 62 | N-term | UNL 1 | SULFATE ION (None) | VdWContact |
| Arg 10 | 62 | N-term | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Arg 10 | 62 | N-term | UNL 1 | SULFATE ION (None) | Anionic |
| Arg 10 | 62 | N-term | UNL 1 | SULFATE ION (None) | VdWContact |
| Cys 11 | 63 | CX | PHE 13 | C-C motif chemokine 1 (B) | VdWContact |
| Cys 11 | 63 | CX | SER 9 | C-C motif chemokine 1 (B) | HBAcceptor |
| Cys 11 | 63 | CX | SER 9 | C-C motif chemokine 1 (B) | HBDonor |
| Cys 11 | 63 | CX | SER 9 | C-C motif chemokine 1 (B) | VdWContact |
| Phe 13 | 68 | N-loop | ILE 34 | C-C motif chemokine 1 (B) | Hydrophobic |
| Phe 13 | 68 | N-loop | CYS 11 | C-C motif chemokine 1 (B) | VdWContact |
| Phe 13 | 68 | N-loop | CYS 35 | C-C motif chemokine 1 (B) | Hydrophobic |
| Phe 13 | 68 | N-loop | PHE 13 | C-C motif chemokine 1 (B) | Hydrophobic |
| Ala 16 | 71 | N-loop | VAL 6 | C-C motif chemokine 1 (B) | Hydrophobic |
| Ala 16 | 71 | N-loop | VAL 6 | C-C motif chemokine 1 (B) | VdWContact |
| Ile 20 | 75 | N-loop | MET 4 | C-C motif chemokine 1 (B) | Hydrophobic |
| Ile 20 | 75 | N-loop | MET 4 | C-C motif chemokine 1 (B) | VdWContact |
| Ala 24 | 82 | N-loop | MET 4 | C-C motif chemokine 1 (B) | Hydrophobic |
| Arg 29 | 87 | B1 | UNL 1 | SULFATE ION (None) | Anionic |
| Arg 29 | 87 | B1 | UNL 1 | SULFATE ION (None) | VdWContact |
| Arg 29 | 87 | B1 | UNL 1 | SULFATE ION (None) | Anionic |
| Arg 29 | 87 | B1 | UNL 1 | SULFATE ION (None) | VdWContact |
| Asn 30 | 88 | B1 | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Asn 30 | 88 | B1 | UNL 1 | SULFATE ION (None) | VdWContact |
| Asn 30 | 88 | B1 | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Asn 30 | 88 | B1 | UNL 1 | SULFATE ION (None) | VdWContact |
| Ser 33 | 91 | 30s-loop | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Ser 33 | 91 | 30s-loop | UNL 1 | SULFATE ION (None) | VdWContact |
| Ser 33 | 91 | 30s-loop | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Ser 33 | 91 | 30s-loop | UNL 1 | SULFATE ION (None) | VdWContact |
| Ile 34 | 94 | 30s-loop | PHE 13 | C-C motif chemokine 1 (B) | Hydrophobic |
| Cys 35 | 95 | 30s-loop | PHE 13 | C-C motif chemokine 1 (B) | Hydrophobic |
| Ser 36 | 96 | 30s-loop | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Ser 36 | 96 | 30s-loop | UNL 1 | SULFATE ION (None) | VdWContact |
| Ser 36 | 96 | 30s-loop | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Ser 36 | 96 | 30s-loop | UNL 1 | SULFATE ION (None) | VdWContact |
| Glu 38 | 99 | 30s-loop | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Glu 38 | 99 | 30s-loop | UNL 1 | SULFATE ION (None) | VdWContact |
| Glu 38 | 99 | 30s-loop | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Glu 38 | 99 | 30s-loop | UNL 1 | SULFATE ION (None) | VdWContact |
| Ile 41 | 102 | B2 | PHE 8 | C-C motif chemokine 1 (B) | Hydrophobic |
| Leu 44 | 105 | B2 | MET 4 | C-C motif chemokine 1 (B) | Hydrophobic |
| Arg 46 | 112 | 40s-loop | LYS 74 | C-C motif chemokine 1 (B) | VdWContact |
| Lys 48 | 114 | 40s-loop | GLN 5 | C-C motif chemokine 1 (B) | VdWContact |
| Glu 49 | 115 | B3 | VAL 6 | C-C motif chemokine 1 (B) | HBAcceptor |
| Glu 49 | 115 | B3 | VAL 6 | C-C motif chemokine 1 (B) | VdWContact |
| Glu 49 | 115 | B3 | GLN 5 | C-C motif chemokine 1 (B) | VdWContact |
| Glu 49 | 115 | B3 | PHE 8 | C-C motif chemokine 1 (B) | Hydrophobic |
| Glu 49 | 115 | B3 | PHE 8 | C-C motif chemokine 1 (B) | VdWContact |
| Ala 50 | 116 | B3 | VAL 6 | C-C motif chemokine 1 (B) | Hydrophobic |
| Ala 50 | 116 | B3 | VAL 6 | C-C motif chemokine 1 (B) | VdWContact |
| Cys 51 | 117 | B3 | VAL 6 | C-C motif chemokine 1 (B) | Hydrophobic |
| Cys 51 | 117 | B3 | VAL 6 | C-C motif chemokine 1 (B) | HBDonor |
| Cys 51 | 117 | B3 | VAL 6 | C-C motif chemokine 1 (B) | VdWContact |
| Cys 51 | 117 | B3 | PHE 8 | C-C motif chemokine 1 (B) | VdWContact |
| Val 56 | 122 | 50s-loop | UNL 1 | SULFATE ION (None) | VdWContact |
| Val 56 | 122 | 50s-loop | UNL 1 | SULFATE ION (None) | VdWContact |
| Gly 57 | 123 | Helix | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Gly 57 | 123 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| Gly 57 | 123 | Helix | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Gly 57 | 123 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| Trp 58 | 124 | Helix | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Trp 58 | 124 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| Trp 58 | 124 | Helix | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Trp 58 | 124 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| Arg 61 | 127 | Helix | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Arg 61 | 127 | Helix | UNL 1 | SULFATE ION (None) | Anionic |
| Arg 61 | 127 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| Arg 61 | 127 | Helix | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Arg 61 | 127 | Helix | UNL 1 | SULFATE ION (None) | Anionic |
| Arg 61 | 127 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| Arg 61 | 127 | Helix | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Arg 61 | 127 | Helix | UNL 1 | SULFATE ION (None) | Anionic |
| Arg 61 | 127 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| Arg 61 | 127 | Helix | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Arg 61 | 127 | Helix | UNL 1 | SULFATE ION (None) | Anionic |
| Arg 61 | 127 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| His 62 | 128 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| His 62 | 128 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| Arg 67 | 133 | Helix | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Arg 67 | 133 | Helix | UNL 1 | SULFATE ION (None) | Anionic |
| Arg 67 | 133 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| Arg 67 | 133 | Helix | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Arg 67 | 133 | Helix | UNL 1 | SULFATE ION (None) | Anionic |
| Arg 67 | 133 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| His 68 | 134 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| His 68 | 134 | Helix | UNL 1 | SULFATE ION (None) | HBAcceptor |
| His 68 | 134 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| His 68 | 134 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| His 68 | 134 | Helix | UNL 1 | SULFATE ION (None) | HBAcceptor |
| His 68 | 134 | Helix | UNL 1 | SULFATE ION (None) | VdWContact |
| Ser 71 | 137 | C-term | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Ser 71 | 137 | C-term | UNL 1 | SULFATE ION (None) | VdWContact |
| Ser 71 | 137 | C-term | UNL 1 | SULFATE ION (None) | HBAcceptor |
| Ser 71 | 137 | C-term | UNL 1 | SULFATE ION (None) | VdWContact |
| Lys 72 | 138 | C-term | UNL 1 | SULFATE ION (None) | Anionic |
| Lys 72 | 138 | C-term | UNL 1 | SULFATE ION (None) | Anionic |
| Lys 74 | 140 | C-term | ARG 46 | C-C motif chemokine 1 (B) | VdWContact |
Ligand interaction network
SO4_A_101
SO4_A_102
SO4_A_103
SO4_A_104
SO4_A_105
SO4_A_106
SO4_A_107
SO4_A_108
SO4_A_109
SO4_B_101
SO4_B_102
SO4_B_103
SO4_B_104
SO4_B_105
SO4_B_106
SO4_B_107
SO4_B_108
SO4_C_101
SO4_C_102
SO4_C_103
SO4_C_104
SO4_C_105
SO4_C_106
SO4_C_107
SO4_D_101
SO4_D_102
SO4_D_103
SO4_D_104
SO4_D_105
SO4_D_106
SO4_D_107
DPR_C_7
DPR_C_21
DPR_C_70
DPR_D_7
DPR_D_21
DPR_D_70
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