3HZZ

2.4 angstrom crystal structure of streptomyces collinus crotonyl coa carboxylase/reductase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 161
  • Norm. En. per Res.: -4.9998
• 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	-132.1197	-66.8321	-581.061	-780.0128	163	22	4	20061	4	58	73
A-C	-27.31	-59.7831	-186.046	-273.1391	100	13	1	8213	8	47	36
A-D	-112.7477	-51.0962	-330.299	-494.1429	116	13	1	11478	4	53	49
B-C	-90.7956	-53.2169	-316.604	-460.6165	118	15	1	11385	4	52	49
B-D	-29.7406	-60.3619	-192.579	-282.6814	93	13	1	8314	8	47	36
C-D	-140.9759	-74.6685	-589.329	-804.9733	161	17	4	20179	4	57	73

Interface residues

• A-B: ALA222A, ALA222B, ALA223B, ALA342A, ALA342B, ALA369A, ALA369B, ARG168A, ARG168B, ARG214A, ARG214B, ARG219A, ARG219B, ARG322A, ARG322B, ARG333A, ARG333B, ARG354A, ARG354B, ARG362A, ARG362B, ASN220A, ASN220B, ASN353A, ASN353B, ASN370A, ASN370B, ASP156A, ASP156B, ASP159B, ASP160A, ASP160B, ASP164A, ASP164B, ASP288A, ASP293A, ASP352A, ASP352B, CYS341A, CYS341B, GLN167A, GLN167B, GLN215A, GLN215B, GLN292A, GLN292B, GLU166A, GLU166B, GLU173A, GLU173B, GLU289A, GLU289B, GLU318A, GLU318B, GLU350A, GLU350B, GLU373A, GLU373B, GLY157A, GLY157B, GLY221A, GLY221B, GLY321A, GLY321B, GLY326A, GLY326B, GLY335A, GLY335B, GLY336A, GLY336B, GLY346A, GLY346B, GLY365A, GLY365B, HIS290A, HIS290B, HIS319A, HIS319B, HIS349A, HIS349B, HIS367A, HIS367B, ILE169A, ILE169B, ILE338A, ILE338B, ILE363A, ILE363B, ILE364A, ILE364B, LEU148A, LEU148B, LEU163A, LEU163B, LEU356A, LEU356B, LEU360A, LEU360B, LYS225A, LYS334A, LYS334B, LYS361A, LYS361B, MET162A, MET162B, MET348A, MET348B, MET358A, MET358B, PHE172A, PHE172B, PHE325A, PHE325B, PHE368A, PHE368B, PRO155A, PRO155B, PRO165A, PRO165B, PRO294A, PRO294B, PRO92A, PRO92B, SER154A, SER154B, SER218A, SER218B, SER343A, SER343B, SER359A, SER359B, SER366A, SER366B, THR161A, THR161B, THR211A, THR211B, THR291A, THR291B, THR337A, THR337B, THR339A, THR339B, THR340A, THR340B, THR344A, THR344B, TRP286A, TRP286B, TRP297A, TRP297B, TRP357A, TRP357B, TYR347A, TYR347B, TYR351A, TYR351B, TYR355A, TYR355B, VAL150A, VAL150B, VAL329A, VAL329B
• A-C: ALA223A, ALA223C, ALA243A, ALA243C, ALA247A, ALA247C, ALA249A, ALA249C, ALA252A, ALA252C, ALA377A, ALA377C, ALA382C, ARG219A, ARG219C, ARG333A, ARG333C, ARG372A, ARG372C, ARG379A, ARG379C, ASN220C, ASN229A, ASN229C, ASN253A, ASN253C, ASP228A, ASP228C, ASP312A, ASP312C, ASP314A, ASP314C, GLN226A, GLN226C, GLN245A, GLN245C, GLN436A, GLN436C, GLU273A, GLU273C, GLU311A, GLU311C, GLU373A, GLU373C, GLU376A, GLU376C, GLY227A, GLY227C, GLY250A, GLY250C, GLY251A, GLY251C, GLY309A, GLY309C, GLY310A, GLY310C, GLY335A, GLY335C, GLY336A, GLY336C, ILE255A, ILE255C, ILE313A, ILE313C, ILE386A, ILE386C, LEU216A, LEU216C, LEU248A, LEU248C, LEU307A, LEU307C, LEU380A, LEU380C, LYS225A, LYS225C, LYS334A, LYS334C, LYS383A, LYS383C, LYS385A, LYS385C, MET224A, MET224C, PHE246A, PHE246C, PRO254A, PRO254C, SER218A, SER218C, THR308A, THR308C, TYR213A, TYR213C, TYR242C, TYR375A, TYR375C, VAL217A, VAL217C, VAL230A
• A-D: ALA136A, ALA136D, ALA369A, ALA369D, ALA374A, ALA374D, ARG111A, ARG111D, ARG214A, ARG214D, ARG219A, ARG219D, ARG372A, ARG372D, ARG379D, ASN135A, ASN135D, ASN188A, ASN188D, ASN220A, ASN220D, ASN370A, ASN370D, ASP156A, ASP156D, ASP159A, ASP159D, ASP160A, ASP160D, ASP164A, ASP164D, GLN138A, GLN138D, GLN189A, GLN189D, GLU151A, GLU151D, GLU153A, GLU153D, GLU166A, GLU166D, GLU373A, GLU373D, GLU376A, GLU376D, GLY131A, GLY131D, GLY133A, GLY133D, GLY157A, GLY157D, GLY67A, GLY67D, GLY69A, GLY69D, HIS146A, HIS146D, HIS158A, HIS158D, LEU105A, LEU105D, LEU108A, LEU108D, LEU148A, LEU148D, LEU152A, LEU152D, LEU163A, LEU163D, LEU190A, LEU190D, LYS104A, LYS104D, LYS186A, LYS186D, MET162A, MET162D, MET191A, MET191D, PRO107A, PRO107D, PRO132A, PRO132D, PRO155A, PRO155D, PRO165A, PRO165D, PRO192A, PRO192D, PRO68A, PRO68D, SER106A, SER106D, SER154A, SER154D, SER218A, SER218D, THR109A, THR109D, THR130A, THR130D, THR161A, THR161D, THR187A, THR187D, TRP137A, TRP137D, TYR102A, TYR371A, TYR371D, TYR375A, TYR375D, VAL134A, VAL134D, VAL150A, VAL150D
• B-C: ALA136B, ALA136C, ALA369B, ALA369C, ALA374B, ALA374C, ARG111B, ARG111C, ARG214B, ARG214C, ARG219B, ARG219C, ARG372B, ARG372C, ARG379B, ARG379C, ASN135B, ASN135C, ASN188B, ASN188C, ASN220B, ASN220C, ASN370B, ASN370C, ASP156B, ASP156C, ASP159B, ASP159C, ASP160B, ASP160C, ASP164B, ASP164C, GLN138B, GLN138C, GLN189B, GLN189C, GLU151B, GLU151C, GLU153B, GLU153C, GLU166B, GLU166C, GLU373B, GLU373C, GLU376B, GLU376C, GLY131B, GLY131C, GLY133B, GLY133C, GLY157B, GLY157C, GLY67B, GLY67C, GLY69B, GLY69C, HIS146B, HIS146C, HIS158B, HIS158C, LEU105B, LEU105C, LEU108B, LEU108C, LEU148B, LEU148C, LEU152B, LEU152C, LEU163B, LEU163C, LEU190B, LEU190C, LYS104B, LYS104C, LYS186B, LYS186C, MET162B, MET162C, MET191B, MET191C, PRO107B, PRO107C, PRO132B, PRO132C, PRO155B, PRO155C, PRO165B, PRO165C, PRO192B, PRO192C, PRO68B, PRO68C, SER106B, SER106C, SER154B, SER154C, SER218B, SER218C, THR109B, THR109C, THR130B, THR130C, THR161B, THR161C, THR187B, THR187C, TRP137B, TRP137C, TYR102B, TYR102C, TYR371B, TYR371C, TYR375B, TYR375C, VAL134B, VAL134C, VAL150B, VAL150C
• B-D: ALA223B, ALA223D, ALA243B, ALA243D, ALA247B, ALA247D, ALA249B, ALA249D, ALA252B, ALA252D, ALA377B, ALA377D, ALA382D, ARG219B, ARG219D, ARG333B, ARG333D, ARG372B, ARG372D, ARG379B, ARG379D, ASN220B, ASN229B, ASN229D, ASN253B, ASN253D, ASP228B, ASP228D, ASP312B, ASP312D, ASP314B, ASP314D, GLN226B, GLN226D, GLN245B, GLN245D, GLU311B, GLU311D, GLU373B, GLU373D, GLU376B, GLU376D, GLY227B, GLY227D, GLY250B, GLY250D, GLY251B, GLY251D, GLY309B, GLY309D, GLY310B, GLY310D, GLY335B, GLY335D, GLY336B, GLY336D, ILE255B, ILE255D, ILE313B, ILE313D, ILE386B, ILE386D, LEU216B, LEU216D, LEU248B, LEU248D, LEU307B, LEU307D, LEU380B, LEU380D, LYS225B, LYS225D, LYS334B, LYS334D, LYS383B, LYS383D, LYS385B, LYS385D, MET224B, MET224D, PHE246B, PHE246D, PRO254B, SER218B, SER218D, THR308B, THR308D, TYR213B, TYR213D, TYR375B, TYR375D, VAL217B, VAL217D
• C-D: ALA222C, ALA222D, ALA342C, ALA342D, ALA369C, ALA369D, ARG168C, ARG168D, ARG214C, ARG214D, ARG219C, ARG219D, ARG322C, ARG322D, ARG333C, ARG333D, ARG354C, ARG354D, ARG362C, ARG362D, ASN220C, ASN220D, ASN353C, ASN353D, ASN370C, ASN370D, ASP156C, ASP156D, ASP159C, ASP160C, ASP160D, ASP164C, ASP164D, ASP288C, ASP288D, ASP293C, ASP352C, ASP352D, CYS341C, CYS341D, GLN167C, GLN167D, GLN215C, GLN215D, GLN292C, GLN292D, GLU166C, GLU166D, GLU173C, GLU173D, GLU289C, GLU289D, GLU318C, GLU318D, GLU350C, GLU350D, GLU373D, GLY157C, GLY157D, GLY221C, GLY221D, GLY321C, GLY321D, GLY326C, GLY326D, GLY335C, GLY335D, GLY336C, GLY336D, GLY346C, GLY346D, GLY365C, GLY365D, HIS290C, HIS290D, HIS319C, HIS319D, HIS349C, HIS349D, HIS367C, HIS367D, ILE169C, ILE169D, ILE338C, ILE338D, ILE363C, ILE363D, ILE364C, ILE364D, LEU148C, LEU148D, LEU163C, LEU163D, LEU356C, LEU356D, LEU360C, LEU360D, LYS225D, LYS334C, LYS334D, LYS361C, LYS361D, MET162C, MET162D, MET348C, MET348D, MET358C, MET358D, PHE172C, PHE172D, PHE325C, PHE325D, PHE368C, PHE368D, PRO155C, PRO155D, PRO165C, PRO165D, PRO294C, PRO294D, PRO92C, PRO92D, SER154C, SER154D, SER218D, SER343C, SER343D, SER359C, SER359D, SER366C, SER366D, THR161C, THR161D, THR211C, THR211D, THR291C, THR291D, THR337C, THR337D, THR339C, THR339D, THR340C, THR340D, THR344C, THR344D, TRP286C, TRP286D, TRP297C, TRP297D, TRP357C, TRP357D, TYR347C, TYR347D, TYR351C, TYR351D, TYR355C, TYR355D, VAL150C, VAL150D, VAL329C, VAL329D