9YO5
Crystal structure of integrin a4b1 headpiece in complex with MR128 (Mg)
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Integrin a4 | polymer | 597 | 65599.9 | 1 | Homo sapiens | ||
| 2 | B (B) | Integrin beta-1 | polymer | 490 | 54405.2 | 1 | UniProt (P05556) Pfam (PF17205) Pfam (PF00362) Pfam (PF18372) | Homo sapiens (human) | Fibronectin receptor subunit beta,Glycoprotein IIa,GPIIA,VLA-4 subunit beta |
| 3 | C (C) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 4 | D (D) | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 707.6 | 1 | In PDB GlyTouCan (G00027MO) | |||
| 5 | E (E) | alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 748.7 | 1 | In PDB GlyTouCan (G22573RC) | |||
| 6 | F, G, H, I, J... (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 8 | Chemie (NAG) PubChem (24139) | |||
| 7 | K, L, M, N, O (A, B) | CALCIUM ION | non-polymer | 40.1 | 5 | Chemie (CA) PubChem (271) | |||
| 8 | P (B) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) PubChem (888) | |||
| 9 | T (B) | (2R)-(2,6-difluorobenzamido)(4-hydroxy-1-{[(2S)-1-({4-[(2-methylphenyl)carbamamido]phenyl}acetyl)pyrrolidin-2-yl]methyl}piperidin-4-yl)acetic acid | non-polymer | 663.7 | 1 | Chemie (A1C0P) | |||
| 10 | U, V (A, B) | water | water | 18.0 | 87 | Chemie (HOH) |
Sequence modifications
B: 1 - 481 (UniProt: P05556)
| PDB | External Database | Details |
|---|---|---|
| His 92 | Thr 112 | conflict |
| Thr 195 | Ser 215 | conflict |
| Gly 482 | - | expression tag |
| Gly 483 | - | expression tag |
| Ser 484 | - | expression tag |
| Glu 485 | - | expression tag |
| Asn 486 | - | expression tag |
| Leu 487 | - | expression tag |
| Tyr 488 | - | expression tag |
| Phe 489 | - | expression tag |
| Gln 490 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 120005.0 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 2042.9 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 2658.1 | |
| All* | Total formula weight | 124706.0 |
