2C3P

crystal structure of the free radical intermediate of pyruvate:ferredoxin oxidoreductase from desulfovibrio africanus

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 1128
  • Norm. En. per Res.: -4.5879
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-784.6518	-258.7005	-4131.85	-5175.2023	1128	186	105	159257	39	375	322

Interface residues

• A-B: ALA1009A, ALA1009B, ALA1011A, ALA1011B, ALA1014A, ALA1014B, ALA1015A, ALA1015B, ALA1016A, ALA1016B, ALA1026A, ALA1026B, ALA1106A, ALA1106B, ALA1130A, ALA1130B, ALA1135A, ALA1135B, ALA1145A, ALA115A, ALA115B, ALA1168B, ALA1176A, ALA1176B, ALA1178A, ALA1178B, ALA117A, ALA117B, ALA1182A, ALA1182B, ALA118A, ALA118B, ALA1192A, ALA1192B, ALA1204A, ALA1204B, ALA120A, ALA120B, ALA1211A, ALA1211B, ALA1217A, ALA1217B, ALA132A, ALA132B, ALA133A, ALA133B, ALA139A, ALA139B, ALA13B, ALA201A, ALA201B, ALA205A, ALA205B, ALA219A, ALA219B, ALA231A, ALA231B, ALA232A, ALA232B, ALA25A, ALA25B, ALA26A, ALA26B, ALA335A, ALA335B, ALA347A, ALA347B, ALA360A, ALA360B, ALA427A, ALA427B, ALA433A, ALA433B, ALA44A, ALA44B, ALA45A, ALA45B, ALA590A, ALA590B, ALA658A, ALA658B, ALA65A, ALA65B, ALA661A, ALA661B, ALA678A, ALA678B, ALA67A, ALA67B, ALA68A, ALA68B, ALA70A, ALA70B, ALA74A, ALA74B, ALA752A, ALA752B, ALA76A, ALA76B, ALA77A, ALA77B, ALA79A, ALA79B, ALA811A, ALA811B, ALA835A, ALA835B, ALA846A, ALA846B, ALA848A, ALA848B, ALA863A, ALA863B, ALA872A, ALA872B, ALA873A, ALA873B, ALA885A, ALA885B, ALA891A, ALA891B, ALA947A, ALA947B, ALA979A, ALA979B, ARG1019A, ARG1019B, ARG1027A, ARG1027B, ARG1077A, ARG1077B, ARG1133A, ARG1133B, ARG1139A, ARG1139B, ARG1147A, ARG1147B, ARG114A, ARG114B, ARG1159A, ARG1159B, ARG1197A, ARG1197B, ARG1205A, ARG1205B, ARG1216A, ARG1216B, ARG1229A, ARG1229B, ARG134A, ARG134B, ARG204A, ARG204B, ARG216A, ARG216B, ARG229A, ARG229B, ARG306A, ARG306B, ARG329A, ARG329B, ARG351A, ARG351B, ARG362A, ARG362B, ARG48B, ARG558A, ARG558B, ARG59A, ARG59B, ARG664A, ARG664B, ARG675A, ARG675B, ARG831A, ARG831B, ARG886A, ARG886B, ARG887A, ARG887B, ASN1073A, ASN1073B, ASN1132A, ASN1132B, ASN1170A, ASN1170B, ASN11A, ASN11B, ASN1215A, ASN1215B, ASN164A, ASN164B, ASN209A, ASN209B, ASN221A, ASN221B, ASN233A, ASN233B, ASN388A, ASN388B, ASN434A, ASN434B, ASN491A, ASN491B, ASN50A, ASN50B, ASN560A, ASN560B, ASN680A, ASN680B, ASN750A, ASN750B, ASN836A, ASN836B, ASN856A, ASN856B, ASN866A, ASN866B, ASN880A, ASN880B, ASN96A, ASN96B, ASN996A, ASN996B, ASP1024A, ASP1024B, ASP1138A, ASP1138B, ASP1144A, ASP1144B, ASP1157A, ASP1157B, ASP1183A, ASP1183B, ASP1187A, ASP1187B, ASP1198A, ASP1198B, ASP1199A, ASP1199B, ASP1207A, ASP1207B, ASP1213A, ASP1213B, ASP1225A, ASP1225B, ASP126A, ASP126B, ASP129A, ASP129B, ASP223A, ASP223B, ASP328A, ASP328B, ASP338A, ASP338B, ASP343A, ASP343B, ASP396A, ASP396B, ASP397A, ASP397B, ASP41A, ASP41B, ASP428A, ASP428B, ASP42A, ASP42B, ASP456A, ASP456B, ASP652A, ASP652B, ASP662A, ASP662B, ASP753A, ASP753B, ASP871A, ASP871B, ASP892A, ASP892B, ASP928A, ASP928B, ASP950A, ASP950B, ASP968A, ASP968B, ASP975A, ASP975B, ASP9A, ASP9B, CYS1071A, CYS1071B, CYS1195A, CYS1195B, CYS1212A, CYS1212B, CYS345A, CYS345B, CYS745A, CYS745B, CYS748A, CYS748B, CYS751A, CYS751B, CYS755A, CYS755B, CYS812A, CYS812B, CYS815A, CYS815B, CYS840A, CYS840B, GLN1000A, GLN1000B, GLN1074A, GLN1074B, GLN1131A, GLN1131B, GLN1151A, GLN1151B, GLN1214A, GLN1214B, GLN1222A, GLN1222B, GLN1223A, GLN1223B, GLN128A, GLN128B, GLN135A, GLN135B, GLN220A, GLN220B, GLN227A, GLN227B, GLN436A, GLN436B, GLN46A, GLN46B, GLN54A, GLN54B, GLN62A, GLN62B, GLN649A, GLN649B, GLN650A, GLN650B, GLN683A, GLN683B, GLN765A, GLN765B, GLN770A, GLN770B, GLN860A, GLN860B, GLN88A, GLN88B, GLN944A, GLN944B, GLU103A, GLU103B, GLU1143A, GLU1143B, GLU1155A, GLU1155B, GLU1162A, GLU1162B, GLU1164A, GLU1164B, GLU1173A, GLU1173B, GLU1190A, GLU1190B, GLU1193A, GLU1193B, GLU1210A, GLU1210B, GLU1221A, GLU1221B, GLU202A, GLU202B, GLU211A, GLU211B, GLU230A, GLU230B, GLU23A, GLU23B, GLU332A, GLU332B, GLU350A, GLU350B, GLU353A, GLU353B, GLU369A, GLU369B, GLU38A, GLU38B, GLU395A, GLU395B, GLU39A, GLU39B, GLU60A, GLU60B, GLU64A, GLU64B, GLU660A, GLU660B, GLU830A, GLU830B, GLU870A, GLU870B, GLU874A, GLU874B, GLU982A, GLU982B, GLY1017A, GLY1017B, GLY1021A, GLY1021B, GLY102A, GLY102B, GLY1033A, GLY1033B, GLY1075A, GLY1075B, GLY1079A, GLY1079B, GLY1081A, GLY1081B, GLY10B, GLY1179A, GLY1179B, GLY1180A, GLY1180B, GLY1184A, GLY1184B, GLY1189A, GLY1189B, GLY1191A, GLY1191B, GLY1209A, GLY1209B, GLY1218A, GLY1218B, GLY1224A, GLY1224B, GLY125A, GLY125B, GLY137A, GLY137B, GLY217A, GLY217B, GLY228A, GLY228B, GLY334A, GLY334B, GLY337A, GLY337B, GLY352A, GLY352B, GLY361A, GLY361B, GLY364A, GLY364B, GLY366A, GLY366B, GLY393A, GLY393B, GLY400A, GLY400B, GLY426A, GLY426B, GLY429A, GLY429B, GLY432A, GLY432B, GLY461A, GLY461B, GLY462A, GLY462B, GLY47A, GLY47B, GLY53A, GLY53B, GLY651A, GLY651B, GLY663A, GLY663B, GLY668A, GLY668B, GLY66A, GLY66B, GLY676A, GLY676B, GLY69A, GLY69B, GLY73A, GLY73B, GLY747A, GLY747B, GLY749A, GLY749B, GLY78A, GLY78B, GLY810A, GLY810B, GLY814A, GLY814B, GLY829A, GLY829B, GLY839A, GLY839B, GLY845A, GLY845B, GLY859A, GLY859B, GLY861A, GLY861B, GLY865A, GLY865B, GLY876A, GLY876B, GLY878A, GLY878B, GLY89A, GLY89B, GLY970A, GLY970B, GLY972A, GLY972B, GLY973A, GLY973B, GLY981A, GLY981B, GLY998A, GLY998B, GLY999A, GLY999B, HIS1154A, HIS1154B, HIS1165A, HIS1165B, HIS119A, HIS119B, HIS178A, HIS178B, HIS212A, HIS212B, HIS214A, HIS214B, HIS389A, HIS389B, HIS72A, HIS72B, HIS889A, HIS889B, HIS976A, HIS976B, ILE100A, ILE100B, ILE1072A, ILE1072B, ILE116A, ILE116B, ILE1171A, ILE1171B, ILE123A, ILE123B, ILE130A, ILE130B, ILE180A, ILE180B, ILE224A, ILE224B, ILE27A, ILE27B, ILE30A, ILE30B, ILE358A, ILE358B, ILE394A, ILE394B, ILE463A, ILE463B, ILE51A, ILE51B, ILE559A, ILE559B, ILE58A, ILE58B, ILE646A, ILE646B, ILE679A, ILE679B, ILE754A, ILE754B, ILE834A, ILE834B, ILE843A, ILE843B, ILE94A, ILE94B, ILE969A, ILE969B, LEU1025A, LEU1025B, LEU104A, LEU104B, LEU105A, LEU105B, LEU1076A, LEU1076B, LEU1137A, LEU1137B, LEU1148A, LEU1148B, LEU1156A, LEU1163A, LEU1163B, LEU121A, LEU121B, LEU1226A, LEU1226B, LEU200A, LEU200B, LEU237A, LEU237B, LEU304B, LEU340A, LEU340B, LEU342A, LEU342B, LEU359A, LEU359B, LEU365A, LEU365B, LEU425A, LEU425B, LEU480A, LEU480B, LEU56A, LEU56B, LEU647A, LEU647B, LEU654A, LEU654B, LEU667A, LEU667B, LEU75A, LEU75B, LEU762A, LEU762B, LEU767A, LEU767B, LEU805A, LEU805B, LEU80A, LEU80B, LEU858A, LEU858B, LEU868A, LEU868B, LEU890A, LEU890B, LEU893A, LEU893B, LEU90A, LEU90B, LEU91A, LEU91B, LEU92A, LEU92B, LEU951A, LEU951B, LEU974A, LEU974B, LEU978A, LEU978B, LYS1003A, LYS1003B, LYS1012A, LYS1012B, LYS1018A, LYS1018B, LYS1022A, LYS1022B, LYS1023A, LYS1023B, LYS1078A, LYS1078B, LYS1082A, LYS1082B, LYS1161A, LYS1161B, LYS1181A, LYS1181B, LYS198B, LYS206A, LYS206B, LYS238A, LYS331A, LYS331B, LYS357A, LYS357B, LYS368A, LYS368B, LYS435A, LYS435B, LYS439A, LYS439B, LYS458A, LYS458B, LYS459A, LYS459B, LYS49A, LYS49B, LYS593A, LYS594B, LYS653A, LYS653B, LYS760A, LYS760B, LYS854A, LYS854B, LYS896A, LYS896B, LYS924A, LYS924B, LYS931A, LYS931B, LYS938A, LYS954A, LYS954B, LYS955A, LYS955B, LYS99A, LYS99B, MET1028A, MET1028B, MET1030A, MET1030B, MET1080A, MET1080B, MET1166A, MET1166B, MET1202A, MET1202B, MET1203A, MET1203B, MET140A, MET140B, MET208A, MET208B, MET355A, MET355B, MET36A, MET36B, MET374A, MET374B, MET561A, MET561B, MET61A, MET61B, MET746A, MET746B, MET764A, MET764B, MET832A, MET832B, MET851A, MET851B, MET879A, MET879B, MET881A, MET881B, MET883A, MET883B, MET93A, MET93B, MET948A, MET948B, MET97A, MET97B, PHE1013A, PHE1013B, PHE1134A, PHE1134B, PHE1141A, PHE1141B, PHE1160A, PHE1160B, PHE1172A, PHE1172B, PHE1175A, PHE1175B, PHE1188A, PHE1188B, PHE1194A, PHE1194B, PHE124A, PHE124B, PHE138A, PHE138B, PHE174A, PHE174B, PHE203A, PHE203B, PHE226A, PHE226B, PHE261A, PHE261B, PHE308A, PHE308B, PHE348A, PHE348B, PHE370A, PHE370B, PHE390A, PHE390B, PHE453A, PHE453B, PHE52A, PHE52B, PHE638A, PHE638B, PHE659A, PHE659B, PHE665A, PHE665B, PHE828A, PHE828B, PHE833A, PHE833B, PHE869A, PHE869B, PHE877A, PHE877B, PHE884A, PHE884B, PRO1062A, PRO1062B, PRO1142A, PRO1177A, PRO1177B, PRO1201A, PRO1201B, PRO1206A, PRO1206B, PRO166A, PRO210A, PRO210B, PRO213A, PRO213B, PRO222A, PRO222B, PRO234A, PRO234B, PRO240A, PRO240B, PRO29A, PRO29B, PRO307A, PRO307B, PRO32A, PRO32B, PRO333A, PRO333B, PRO336A, PRO336B, PRO339A, PRO339B, PRO356A, PRO356B, PRO645A, PRO645B, PRO655A, PRO655B, PRO666A, PRO666B, PRO682A, PRO682B, PRO766A, PRO766B, PRO849A, PRO849B, PRO852A, PRO852B, PRO862A, PRO862B, PRO95A, PRO95B, SER1001A, SER1001B, SER1002A, SER1002B, SER101A, SER101B, SER1083A, SER1083B, SER1140A, SER1140B, SER1174A, SER1174B, SER1185A, SER1185B, SER1208A, SER1208B, SER1220A, SER1220B, SER1227A, SER1227B, SER122A, SER122B, SER177A, SER177B, SER207A, SER207B, SER22A, SER22B, SER310A, SER310B, SER33A, SER33B, SER346A, SER346B, SER34A, SER34B, SER367A, SER367B, SER402A, SER402B, SER454A, SER454B, SER457A, SER457B, SER460A, SER460B, SER63A, SER63B, SER657A, SER657B, SER813A, SER813B, SER842A, SER842B, SER847A, SER847B, SER850A, SER850B, SER867A, SER867B, SER87A, SER87B, SER882A, SER882B, SER949A, SER949B, SER956A, SER956B, SER980A, SER980B, SER995A, SER995B, THR1007A, THR1007B, THR1020A, THR1020B, THR1031A, THR1031B, THR1169A, THR1169B, THR1196A, THR1196B, THR1200A, THR1200B, THR1219A, THR1219B, THR1230A, THR1230B, THR12A, THR12B, THR136A, THR136B, THR218A, THR218B, THR31A, THR31B, THR330A, THR330B, THR35A, THR35B, THR391A, THR391B, THR399A, THR399B, THR401A, THR401B, THR430A, THR430B, THR464A, THR464B, THR55A, THR55B, THR57A, THR57B, THR669A, THR669B, THR769A, THR769B, THR7A, THR7B, THR81A, THR81B, THR82A, THR82B, THR838A, THR838B, THR855A, THR855B, THR888A, THR888B, THR8A, THR8B, THR953A, THR953B, THR997A, THR997B, TRP43A, TRP43B, TRP844A, TRP844B, TRP864A, TRP864B, TRP958A, TRP958B, TYR1032A, TYR1032B, TYR1034A, TYR1034B, TYR1101A, TYR1101B, TYR131A, TYR131B, TYR225A, TYR225B, TYR235A, TYR235B, TYR236A, TYR236B, TYR28A, TYR28B, TYR305A, TYR305B, TYR341A, TYR341B, TYR363A, TYR363B, TYR452A, TYR452B, TYR455A, TYR455B, TYR591A, TYR591B, TYR853A, TYR853B, TYR875A, TYR875B, TYR952A, TYR952B, TYR967A, TYR967B, TYR971A, TYR971B, TYR98A, TYR98B, TYR994A, TYR994B, VAL1010A, VAL1010B, VAL1029A, VAL1029B, VAL1035A, VAL1136A, VAL1136B, VAL1152A, VAL1158A, VAL1158B, VAL1186A, VAL1186B, VAL165A, VAL165B, VAL215A, VAL215B, VAL239A, VAL239B, VAL24A, VAL24B, VAL309A, VAL309B, VAL344A, VAL344B, VAL349A, VAL349B, VAL392A, VAL392B, VAL398A, VAL398B, VAL431A, VAL431B, VAL642A, VAL642B, VAL643A, VAL643B, VAL656A, VAL656B, VAL677A, VAL677B, VAL681A, VAL681B, VAL71A, VAL71B, VAL763A, VAL763B, VAL957A, VAL957B, VAL977A, VAL977B, VAL993A, VAL993B