4QAE
Crystal structure of an engineered lipocalin (Anticalin) in complex with human hepcidin
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... (P, Q, R, S, T...) | Hepcidin | polymer | 25 | 2802.5 | 6 | UniProt (P81172) Pfam (PF06446) | Homo sapiens | Liver-expressed antimicrobial peptide 1, LEAP-1, Putative liver tumor regressor, PLTR, Hepcidin-25, Hepc25, Hepcidin-20, Hepc20 |
| 2 | G, H, I, J, K... (A, B, C, D, E...) | Neutrophil gelatinase-associated lipocalin | polymer | 188 | 21497.4 | 6 | UniProt (P80188) Pfam (PF00061) | Homo sapiens (human) | NGAL, 25 kDa alpha-2-microglobulin-related subunit of MMP-9, Lipocalin-2, Oncogene 24p3, Siderocalin LCN2, p25 |
| 3 | M, N, O, Q, S (P, S, U, B, D) | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
| 4 | P, R, T, U, V... (A, B, D, E, F) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 8 | Chemie (MPD) | |||
| 5 | AA, BA, CA, DA, EA... (Q, R, S, T, U...) | water | water | 18.0 | 629 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F: 1 - 178 (UniProt: P80188)
| PDB | External Database | Details |
|---|---|---|
| His 28 | Gln 48 | engineered mutation |
| Glu 40 | Ala 60 | engineered mutation |
| Val 41 | Ile 61 | engineered mutation |
| Met 49 | Gln 69 | engineered mutation |
| Trp 52 | Tyr 72 | engineered mutation |
| Glu 59 | Lys 79 | engineered mutation |
| Ile 68 | Ser 88 | engineered mutation |
| Met 70 | Leu 90 | engineered mutation |
| Pro 71 | Phe 91 | engineered mutation |
| Leu 72 | Arg 92 | engineered mutation |
| Ala 73 | Lys 93 | engineered mutation |
| Glu 74 | Lys 94 | engineered mutation |
| Glu 77 | Asp 97 | engineered mutation |
| Leu 79 | Trp 99 | engineered mutation |
| Phe 80 | Ile 100 | engineered mutation |
| Gln 81 | Arg 101 | engineered mutation |
| Ser 87 | Cys 107 | engineered mutation |
| Gly 96 | Asn 116 | engineered mutation |
| Gly 100 | Tyr 120 | engineered mutation |
| Arg 103 | Leu 123 | engineered mutation |
| Gly 106 | Tyr 126 | engineered mutation |
| Val 125 | Lys 145 | engineered mutation |
| Trp 127 | Ser 147 | engineered mutation |
| Val 132 | Tyr 152 | engineered mutation |
| Trp 134 | Lys 154 | engineered mutation |
| Val 135 | Ile 155 | engineered mutation |
| Ser 179 | - | expression tag |
| Ala 180 | - | expression tag |
| Trp 181 | - | expression tag |
| Ser 182 | - | expression tag |
| His 183 | - | expression tag |
| Pro 184 | - | expression tag |
| Gln 185 | - | expression tag |
| Phe 186 | - | expression tag |
| Glu 187 | - | expression tag |
| Lys 188 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 12 |
| Total formula weight | 145798.9 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1122.7 | |
| All* | Total formula weight | 146921.6 |
