4NEN
An internal ligand-bound, metastable state of a leukocyte integrin, aXb2
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Integrin alpha-X | polymer | 1094 | 120448.0 | 1 | UniProt (P20702) Pfam (PF00092) Pfam (PF01839) Pfam (PF08441) Pfam (PF20805) Pfam (PF21520) In PDB | Homo sapiens (human) | CD11 antigen-like family member C, Leu M5, Leukocyte adhesion glycoprotein p150,95 alpha chain, Leukocyte adhesion receptor p150,95 |
| 2 | B | Integrin beta-2 | polymer | 686 | 75751.9 | 1 | UniProt (P05107) Pfam (PF17205) Pfam (PF00362) Pfam (PF07965) In PDB | Homo sapiens (human) | Cell surface adhesion glycoproteins LFA-1/CR3/p150,95 subunit beta, Complement receptor C3 subunit beta |
| 3 | C, D, F, G, H | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 5 | In PDB GlyTouCan (G42666HT) | |||
| 4 | E | alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1073.0 | 1 | In PDB GlyTouCan (G09724ZC) | |||
| 5 | A, B | CALCIUM ION | non-polymer | 40.1 | 5 | Chemie (CA) | |||
| 6 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 7 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 8 | water | water | 18.0 | 128 | Chemie (HOH) |
Sequence modifications
A: 1 - 1082 (UniProt: P20702)
B: 1 - 674 (UniProt: P05107)
| PDB | External Database | Details |
|---|---|---|
| Asp 42 | Asn 61 | engineered mutation |
| Asp 368 | Ser 387 | engineered mutation |
| Thr 678 | Asn 697 | engineered mutation |
| Ser 885 | Asn 904 | engineered mutation |
| Cys 920 | Asn 939 | engineered mutation |
| Pro 1083 | - | expression tag |
| Gly 1084 | - | expression tag |
| Pro 1085 | - | expression tag |
| Ala 1086 | - | expression tag |
| Ala 1087 | - | expression tag |
| Leu 1088 | - | expression tag |
| Gln 1089 | - | expression tag |
| Thr 1090 | - | expression tag |
| Leu 1091 | - | expression tag |
| Phe 1092 | - | expression tag |
| Gln 1093 | - | expression tag |
| Gly 1094 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Asp 190 | Asn 212 | engineered mutation |
| Lys 232 | Asn 254 | engineered mutation |
| Cys 674 | Val 696 | engineered mutation |
| Gly 675 | - | expression tag |
| Gly 676 | - | expression tag |
| Pro 677 | - | expression tag |
| Ala 678 | - | expression tag |
| Ala 679 | - | expression tag |
| Leu 680 | - | expression tag |
| Gln 681 | - | expression tag |
| Thr 682 | - | expression tag |
| Leu 683 | - | expression tag |
| Phe 684 | - | expression tag |
| Gln 685 | - | expression tag |
| Gly 686 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 196199.9 | |
| Branched | Number of molecules | 6 |
| Total formula weight | 3195.0 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 284.5 | |
| All* | Total formula weight | 199679.3 |
