2D69

crystal structure of the complex of sulfate ion and octameric ribulose-1,5-bisphosphate carboxylase/oxygenase (rubisco) from pyrococcus horikoshii ot3 (form-2 crystal)

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 67
  • Norm. En. per Res.: -3.6061
• Hub Node: A(3)

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	-34.9001	-28.9581	-69.0474	-132.9056	44	3	0	2795	8	33	30
A-D	-17.0729	-56.7514	-71.8137	-145.6381	45	2	0	2894	9	33	31
A-E	-142.9983	19.8518	-1013.98	-1137.1265	333	29	21	40138	8	54	75
D-E	-58.1673	-28.4461	-154.998	-241.6114	67	5	0	5074	20	48	33

Interface residues

• A-B: ARG131A, ARG198B, ARG202B, ARG204B, ARG208B, ARG265A, ARG341A, ASN197B, ASP270A, GLN137A, GLN141A, GLU128A, GLU145A, GLU168B, GLU200B, GLU201B, GLU266A, GLU269A, GLU338A, GLY135A, GLY142A, GLY272A, HIS132A, HIS339A, ILE340A, LEU130A, LEU271A, LEU273A, LYS134A, LYS205B, LYS336A, MET240B, PHE133A, PHE138A, PHE146A, PHE194B, PHE196B, PRO136A, PRO195B, SER166B, SER193B, THR268A, TYR127A, VAL167B
• A-D: ARG131D, ARG198A, ARG202A, ARG204A, ARG208A, ARG265D, ARG341D, ASN197A, ASP270D, GLN137D, GLN141D, GLU128D, GLU145D, GLU168A, GLU169A, GLU200A, GLU201A, GLU266D, GLU269D, GLU338D, GLY135D, GLY142D, GLY272D, HIS132D, HIS339D, ILE340D, LEU130D, LEU271D, LEU273D, LYS134D, LYS205A, LYS336D, MET240A, PHE133D, PHE138D, PHE146D, PHE194A, PHE196A, PRO136D, PRO195A, SER166A, SER193A, THR268D, TYR127D, VAL167A
• A-E: ALA104A, ALA104E, ALA106A, ALA106E, ALA114A, ALA114E, ALA171A, ALA171E, ALA174A, ALA174E, ALA256A, ALA256E, ALA260A, ALA260E, ALA280A, ALA280E, ALA283A, ALA283E, ALA284A, ALA284E, ALA315E, ALA320A, ALA320E, ALA384E, ALA47A, ALA47E, ALA65A, ALA65E, ARG119A, ARG119E, ARG198E, ARG237A, ARG237E, ARG265A, ARG265E, ARG279A, ARG279E, ARG287A, ARG287E, ARG290A, ARG290E, ARG383A, ARG383E, ARG45A, ARG45E, ARG67A, ARG67E, ASN108A, ASN108E, ASN117A, ASN117E, ASN190A, ASN190E, ASN197A, ASN197E, ASN226A, ASN226E, ASN232A, ASN232E, ASN288A, ASN288E, ASN322E, ASN35A, ASN35E, ASP188A, ASP188E, ASP252A, ASP252E, ASP380A, ASP380E, GLN100A, GLN100E, GLN262A, GLN262E, GLN370A, GLN370E, GLU168A, GLU168E, GLU169A, GLU169E, GLU172A, GLU172E, GLU176A, GLU176E, GLU189A, GLU189E, GLU235A, GLU235E, GLU266A, GLU266E, GLU33A, GLU33E, GLU418E, GLU49A, GLU49E, GLU63A, GLU63E, GLU94A, GLU94E, GLU95A, GLU95E, GLU9A, GLU9E, GLY107A, GLY107E, GLY111A, GLY111E, GLY164A, GLY164E, GLY229A, GLY229E, GLY257A, GLY257E, GLY292A, GLY292E, GLY317A, GLY317E, GLY321A, GLY321E, GLY350A, GLY372A, GLY372E, GLY373A, GLY373E, GLY374E, GLY377A, GLY377E, GLY381A, GLY381E, GLY53A, GLY53E, GLY96A, GLY96E, HIS278A, HIS278E, HIS282A, HIS282E, HIS291A, HIS291E, HIS311A, HIS311E, HIS378A, HIS378E, ILE173A, ILE173E, ILE227A, ILE227E, ILE233A, ILE233E, ILE251A, ILE251E, ILE253A, ILE253E, ILE293A, ILE293E, ILE305A, ILE305E, ILE52A, ILE52E, LEU101A, LEU101E, LEU115A, LEU115E, LEU118A, LEU118E, LEU120A, LEU120E, LEU177A, LEU177E, LEU261A, LEU261E, LEU298A, LEU4A, LEU58A, LEU58E, LEU61A, LEU61E, LEU90A, LEU90E, LEU92A, LEU92E, LEU98A, LEU98E, LYS113A, LYS113E, LYS116A, LYS116E, LYS160A, LYS160E, LYS162A, LYS162E, LYS186A, LYS186E, LYS236A, LYS236E, LYS318A, LYS318E, LYS60A, LYS60E, LYS66A, LYS66E, LYS7A, MET112A, MET112E, MET163A, MET163E, MET234A, MET234E, MET250A, MET250E, MET264A, MET264E, MET281A, MET281E, MET319A, MET319E, MET376A, MET376E, MET64A, MET64E, MET69A, MET69E, MET6A, PHE102A, PHE102E, PHE110A, PHE110E, PHE133A, PHE133E, PHE14A, PHE14E, PHE191A, PHE191E, PHE194A, PHE194E, PHE196A, PHE196E, PHE199A, PHE199E, PHE285A, PHE285E, PHE93A, PHE93E, PRO159A, PRO159E, PRO161A, PRO161E, PRO195A, PRO195E, PRO230A, PRO230E, PRO289A, PRO289E, PRO379A, PRO379E, PRO382A, PRO382E, PRO62A, PRO62E, SER103A, SER103E, SER166A, SER166E, SER193A, SER193E, SER259A, SER259E, SER348A, SER348E, SER48A, SER48E, SER50A, SER50E, SER51A, SER51E, SER68A, SER68E, SER97A, SER97E, THR192A, THR192E, THR228A, THR228E, THR286A, THR286E, THR314E, THR54A, THR54E, THR56A, THR56E, THR57A, THR57E, THR91A, THR91E, TRP10E, TRP165A, TRP165E, TRP258A, TRP258E, TRP55A, TRP55E, TRP59A, TRP59E, TYR11A, TYR11E, TYR170A, TYR170E, TYR175A, TYR175E, TYR263A, TYR263E, TYR88A, TYR88E, VAL105A, VAL105E, VAL109A, VAL109E, VAL158A, VAL158E, VAL231A, VAL231E, VAL254A, VAL254E, VAL255A, VAL255E, VAL267A, VAL267E, VAL316A, VAL316E, VAL375A, VAL375E, VAL99A, VAL99E
• D-E: ALA87D, ALA87E, ARG131D, ARG131E, ARG23D, ARG23E, ARG67D, ARG67E, ASP24D, ASP24E, GLN100D, GLN100E, GLU128D, GLU128E, GLU20D, GLU20E, GLU25D, GLU25E, GLU338D, GLU338E, GLU63D, GLU63E, GLU94D, GLU94E, GLU95D, GLU95E, GLY22D, GLY22E, GLY96D, GLY96E, HIS132D, HIS132E, HIS339D, HIS339E, LEU130D, LEU130E, LEU26D, LEU90D, LEU90E, LEU92D, LEU92E, LYS336D, LYS336E, LYS60D, LYS66D, MET64D, MET64E, PHE93D, PHE93E, PRO126D, PRO126E, PRO21D, PRO21E, PRO89D, PRO89E, SER68E, SER97D, THR91D, THR91E, TYR127D, TYR127E, TYR129D, TYR129E, TYR19D, TYR19E, TYR88D, TYR88E