Atomic Model Structure of Intact Monoclonal Antibody Reference Material 8671 (NISTmAb)
As monoclonal antibodies have become a vital resource in medicine, knowledge of their complex molecular structures has increased in importance. Thousands of Fab and Fc fragments are described in the Protein Data Bank. Whole antibodies have been imaged by EM methods and in a few cases, crystallized. The central hinge lacks a unique stable conformation and its dynamic properties are important to antibody function. Monte Carlo and molecular dynamics simulations and small-angle scattering methods have been used to analyze the wide range of configurations that are accessible to antibodies in solution. In order to support the development of antibody-based medicines, the National Institute of Standards and Technology (NIST) has released an extensively characterized IgG1 mAb, called Reference Material 8671 or NISTmAb1. To facilitate modeling of whole antibodies we now report the construction of an all-atom 3-D model of RM 8671. Atomic model structure of the intact monoclonal antibody Reference Material 8671 (NISTmAb), including PDBv3 formatted file containing coordinates for each atom in x, y, z format and the FASTA formatted file containing the primary sequence.
Complete Metadata
| @type | dcat:Dataset |
|---|---|
| accessLevel | public |
| accrualPeriodicity | irregular |
| bureauCode |
[
"006:55"
]
|
| contactPoint |
{
"fn": "Christina Bergonzo",
"hasEmail": "mailto:christina.bergonzo@nist.gov"
}
|
| description | As monoclonal antibodies have become a vital resource in medicine, knowledge of their complex molecular structures has increased in importance. Thousands of Fab and Fc fragments are described in the Protein Data Bank. Whole antibodies have been imaged by EM methods and in a few cases, crystallized. The central hinge lacks a unique stable conformation and its dynamic properties are important to antibody function. Monte Carlo and molecular dynamics simulations and small-angle scattering methods have been used to analyze the wide range of configurations that are accessible to antibodies in solution. In order to support the development of antibody-based medicines, the National Institute of Standards and Technology (NIST) has released an extensively characterized IgG1 mAb, called Reference Material 8671 or NISTmAb1. To facilitate modeling of whole antibodies we now report the construction of an all-atom 3-D model of RM 8671. Atomic model structure of the intact monoclonal antibody Reference Material 8671 (NISTmAb), including PDBv3 formatted file containing coordinates for each atom in x, y, z format and the FASTA formatted file containing the primary sequence. |
| distribution |
[
{
"title": "DOI Access for Atomic Model Structure of Intact Monoclonal Antibody Reference Material 8671 (NISTmAb)",
"accessURL": "https://doi.org/10.18434/mds2-2396"
},
{
"title": "mAb 8671 mmcif format",
"format": "mmCIF/PDBX",
"mediaType": "application/octet-stream",
"description": "A new format in use, compliant with PDBX/mmCIF version 5.344.",
"downloadURL": "https://data.nist.gov/od/ds/mds2-2396/mAb8671_2021_0629.mmcif"
},
{
"title": "mAb 8671",
"format": "PDBv3",
"mediaType": "application/octet-stream",
"description": "An updated version format.",
"downloadURL": "https://data.nist.gov/od/ds/mds2-2396/mAb8671_2021_0629.pdb"
},
{
"title": "FASTA NISTmAb RM 8671",
"format": "FASTA",
"mediaType": "application/octet-stream",
"description": "Primary sequence of NISTmAb RM 8671",
"downloadURL": "https://data.nist.gov/od/ds/mds2-2396/NISTmAb.fasta"
},
{
"title": "SHA256 File for FASTA NISTmAb RM 8671",
"mediaType": "text/plain",
"downloadURL": "https://data.nist.gov/od/ds/mds2-2396/NISTmAb.fasta.sha256"
},
{
"title": "SHA256 File for mAb 8671 mmcif format",
"mediaType": "text/plain",
"downloadURL": "https://data.nist.gov/od/ds/mds2-2396/mAb8671_2021_0629.mmcif.sha256"
},
{
"title": "SHA256 File for mAb 8671",
"mediaType": "text/plain",
"downloadURL": "https://data.nist.gov/od/ds/mds2-2396/mAb8671_2021_0629.pdb.sha256"
}
]
|
| identifier | ark:/88434/mds2-2396 |
| issued | 2021-06-09 |
| keyword |
[
"NISTmAb",
"RM8671",
"intact antibody",
"molecular model"
]
|
| landingPage | https://data.nist.gov/od/id/mds2-2396 |
| language |
[
"en"
]
|
| license | https://www.nist.gov/open/license |
| modified | 2021-04-23 00:00:00 |
| programCode |
[
"006:045"
]
|
| publisher |
{
"name": "National Institute of Standards and Technology",
"@type": "org:Organization"
}
|
| theme |
[
"Chemistry:Theoretical chemistry and modeling",
"Standards:Reference materials"
]
|
| title | Atomic Model Structure of Intact Monoclonal Antibody Reference Material 8671 (NISTmAb) |
