7LAN
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, D, F, H | Myeloperoxidase light chain | polymer | 105 | 11974.4 | 4 | UniProt (P05164) In PDB | Homo sapiens (Human) | MPO |
2 | B, E, G, I | Isoform H14 of Myeloperoxidase | polymer | 466 | 53218.2 | 4 | UniProt (P05164) Pfam (PF03098) In PDB | Homo sapiens (Human) | MPO |
3 | C, K, M | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 3 | In PDB GlyTouCan (G42666HT) | |||
4 | J, L, N, O | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1057.0 | 4 | In PDB GlyTouCan (G82348BZ) | |||
5 | G, A, B, F | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
6 | G, I, B, E | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
7 | G, I, B, E | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 5 | Chemie (NAG) | |||
8 | G, I, B, E | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
9 | G, I, B, E | 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | non-polymer | 520.6 | 4 | Chemie (XS1) | |||
10 | water | water | 18.0 | 966 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 8 |
Total formula weight | 260770.4 | |
Branched | Number of molecules | 7 |
Total formula weight | 5501.1 | |
Non-Polymers* | Number of molecules | 21 |
Total formula weight | 5956.6 | |
All* | Total formula weight | 272228.1 |