3B1T
Crystal structure of human peptidylarginine deiminase 4 in complex with o-Cl-amidine
Summary for 3B1T
Entry DOI | 10.2210/pdb3b1t/pdb |
Related | 3B1U |
Descriptor | Protein-arginine deiminase type-4, 2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid, SULFATE ION, ... (5 entities in total) |
Functional Keywords | nuclei, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Cytoplasm: Q9UM07 |
Total number of polymer chains | 1 |
Total formula weight | 75809.27 |
Authors | Causey, C.P.,Jones, J.E.,Slack, J.L.,Kamei, D.,Jones Jr, L.E.,Subramanian, V.,Knuckley, B.,Ebrahimi, P.,Chumanevich, A.A.,Luo, Y.,Hashimoto, H.,Shimizu, T.,Sato, M.,Hofseth, L.J.,Thompson, P.R. (deposition date: 2011-07-13, release date: 2011-10-26, Last modification date: 2023-11-01) |
Primary citation | Causey, C.P.,Jones, J.E.,Slack, J.L.,Kamei, D.,Jones Jr, L.E.,Subramanian, V.,Knuckley, B.,Ebrahimi, P.,Chumanevich, A.A.,Luo, Y.,Hashimoto, H.,Sato, M.,Hofseth, L.J.,Thompson, P.R. The Development of N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine Amide (o-F-amidine) and N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine Amide (o-Cl-amidine) As Second Generation Protein Arginine Deiminase (PAD) Inhibitors J.Med.Chem., 54:6919-6935, 2011 Cited by PubMed: 21882827DOI: 10.1021/jm2008985 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.5 Å) |
Structure validation
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