https://web.fc.up.pt/PortoBioComp/database/ 2026-05-04T07:25:37+01:00 https://web.fc.up.pt/PortoBioComp/database/ https://web.fc.up.pt/PortoBioComp/database/lib/tpl/dokuwiki/images/favicon.ico text/html 2013-10-03T18:59:50+01:00 https://web.fc.up.pt/PortoBioComp/database/doku.php?id=mm:parameters:iron:cc_c_2&rev=1380823190&do=diff Desulforedoxin is a mononuclear iron tetrahedral metal center coordinated with two directly linked cysteines and and two cysteines that are not linked. COORDINATION SPHERE Oxidation State: Fe(III) Spin Multiplicity: 6 ---------- Structure chosen to parameterize TEST PROTEIN Protein Desulforedoxin PDB Code 1DXG Crystallographic Resolution 1.80 Å Organism Desulfovibrio gigas [Archer, 1995] Parameters Determined Atom Types ATOM TYPE NEW ATOM TYPE … text/html 2013-10-03T19:00:23+01:00 https://web.fc.up.pt/PortoBioComp/database/doku.php?id=mm:parameters:iron:cc_fe_ss_fe_cc&rev=1380823223&do=diff Ferredoxin is a binuclear iron center with four cysteine residues and two sulfurs, having a redox potential of
400 mV. COORDINATION SPHERE Oxidation State: Fe(III)/Fe(III) Spin Multiplicity: 1 ---------- Structure chosen to parameterize TEST PROTEIN Protein [2Fe-2S] Ferredoxin PDB Code 4FXC Crystallographic Resolution 2.50 Å Organism Spirulina platensis [Fukuyama, 1995] Parameters Determined Atom Types ATOM TYPE NEW ATOM TYPE MASS STRUC… text/html 2013-10-03T18:59:10+01:00 https://web.fc.up.pt/PortoBioComp/database/doku.php?id=mm:parameters:iron:cccc&rev=1380823150&do=diff Rubredoxin is a mononuclear iron tetrahedral metal center coordinated with four cysteines that are not directly connected in the backbone of the protein. COORDINATION SPHERE Oxidation State: Fe(III) Spin Multiplicity: 6 ---------- Structure chosen to parameterize TEST PROTEIN Protein Rubredoxin PDB Code 1IRO Crystallographic Resolution 1.10 Å Organism Clostridium pasteurianum [Dauter, 1996] Parameters Determined Atom Types ATOM TYPE NEW ATOM TY…