3K5I

crystal structure of n5-carboxyaminoimidazole synthase from aspergillus clavatus in complex with adp and 5- aminoimadazole ribonucleotide

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 180
  • Norm. En. per Res.: -3.638
• Hub Node: A(2)

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	-132.6746	-9.5347	-512.625	-654.8343	180	26	12	20332	4	28	42
A-D	0.0	0.0	-0.8172	-0.8172	10	0	0	172	0	6	6
B-C	0.0	2.3077	-1.1876	1.1201	12	0	0	216	0	7	6
B-D	-21.6149	47.5475	-73.4272	-47.4946	60	2	4	3077	3	19	29
C-D	-120.0552	-4.0962	-503.668	-627.8195	182	40	11	20035	4	30	44

Interface residues

• A-B: ALA23A, ALA23B, ALA284A, ALA284B, ALA302A, ALA302B, ALA328A, ALA328B, ALA329A, ALA329B, ALA332A, ALA332B, ALA338A, ALA338B, ALA361A, ALA361B, ALA40A, ALA40B, ALA45A, ALA45B, ARG17A, ARG17B, ARG25A, ARG25B, ARG293A, ARG293B, ARG308A, ARG308B, ARG5B, ASN24A, ASN24B, ASN27A, ASN27B, ASN337A, ASN337B, ASN37A, ASN37B, ASN3A, ASN3B, ASP289A, ASP289B, ASP297A, ASP297B, ASP323A, ASP323B, ASP47B, CYS283A, CYS283B, CYS331A, CYS331B, GLN303A, GLN303B, GLN309A, GLN309B, GLN327A, GLN327B, GLN42A, GLN42B, GLU21A, GLU21B, GLU281A, GLU281B, GLU306A, GLU306B, GLU330A, GLU330B, GLU366A, GLU366B, GLY282A, GLY282B, GLY346A, GLY346B, GLY355A, GLY355B, HIS277A, HIS325A, HIS325B, HIS341A, HIS341B, HIS356A, HIS356B, HIS370A, HIS370B, HIS46A, HIS46B, HIS49A, HIS49B, ILE280A, ILE280B, ILE28A, ILE28B, ILE300A, ILE300B, ILE307A, ILE307B, ILE316A, ILE316B, ILE335A, ILE335B, ILE340A, ILE340B, ILE357A, ILE357B, ILE43A, ILE43B, LEU26A, LEU26B, LEU285A, LEU285B, LEU296A, LEU296B, LEU298A, LEU298B, LEU305A, LEU305B, LEU326A, LEU326B, LEU333A, LEU333B, LEU342A, LEU342B, LYS345A, LYS345B, LYS41A, LYS41B, MET18A, MET18B, MET1A, MET1B, MET354A, MET354B, PHE288A, PHE288B, PRO299A, PRO299B, PRO301A, PRO301B, PRO310A, PRO310B, PRO336A, PRO336B, PRO362A, PRO362B, PRO39A, PRO39B, SER22A, SER22B, SER286A, SER286B, SER304A, SER304B, SER311A, SER311B, SER334A, SER334B, SER339A, SER339B, SER344A, SER344B, SER38A, SER38B, SER44A, SER44B, SER4A, SER4B, THR324A, THR358A, THR358B, THR360A, THR360B, TRP2A, TRP2B, TYR278A, TYR278B, TYR343A, TYR343B, VAL20A, VAL20B, VAL359A, VAL359B
• A-D: ASN225D, GLU366A, HIS365A, HIS365D, HIS370A, PRO336A, SER227D, THR363A, THR363D, THR369A
• B-C: ASN225B, GLU366C, HIS365B, HIS365C, HIS370C, PRO336C, PRO362C, SER227B, THR363B, THR363C, THR369C, VAL226B
• B-D: ALA229B, ALA229D, ALA302B, ALA302D, ARG224B, ARG239B, ARG239D, ASN225B, ASN225D, ASN231B, ASN231D, ASP228B, ASP228D, ASP260D, ASP261B, ASP261D, GLN232B, GLN232D, GLN235B, GLN235D, GLN303B, GLN303D, GLU200B, GLU200D, GLU236B, GLU236D, GLU306B, GLU306D, ILE230B, ILE230D, ILE307B, ILE307D, LEU202B, LEU202D, LEU237D, LEU305B, LEU305D, LYS233B, LYS233D, LYS240B, PRO205B, PRO205D, PRO301B, PRO301D, SER203B, SER203D, SER227B, SER227D, SER262B, SER262D, SER304B, SER304D, THR206B, THR206D, TYR204B, TYR204D, VAL201B, VAL201D, VAL226B, VAL226D
• C-D: ALA23C, ALA23D, ALA284C, ALA284D, ALA302C, ALA302D, ALA328C, ALA328D, ALA329C, ALA329D, ALA332C, ALA332D, ALA338C, ALA338D, ALA361C, ALA361D, ALA367D, ALA40C, ALA40D, ALA45C, ALA45D, ARG17C, ARG17D, ARG25C, ARG25D, ARG293C, ARG293D, ARG308C, ARG308D, ARG5D, ASN24C, ASN24D, ASN27C, ASN27D, ASN337C, ASN337D, ASN37C, ASN37D, ASN3C, ASN3D, ASP289C, ASP289D, ASP297C, ASP297D, ASP323C, ASP323D, ASP47D, CYS283C, CYS283D, CYS331C, CYS331D, GLN303C, GLN303D, GLN309C, GLN309D, GLN327C, GLN327D, GLN42C, GLN42D, GLU21C, GLU21D, GLU281C, GLU281D, GLU306C, GLU306D, GLU330C, GLU330D, GLU366C, GLU366D, GLY282C, GLY282D, GLY346C, GLY346D, GLY355C, GLY355D, HIS277C, HIS325C, HIS325D, HIS341C, HIS341D, HIS356C, HIS356D, HIS370C, HIS370D, HIS46C, HIS46D, HIS49C, HIS49D, ILE280C, ILE280D, ILE28C, ILE28D, ILE300C, ILE300D, ILE307C, ILE307D, ILE316C, ILE316D, ILE335C, ILE335D, ILE340C, ILE340D, ILE357C, ILE357D, ILE43C, ILE43D, LEU26C, LEU26D, LEU285C, LEU285D, LEU292C, LEU296C, LEU298C, LEU298D, LEU305C, LEU305D, LEU326C, LEU326D, LEU333C, LEU333D, LEU342C, LEU342D, LYS345C, LYS345D, LYS41C, LYS41D, MET18C, MET18D, MET1C, MET1D, MET354C, MET354D, PHE288C, PHE288D, PRO299C, PRO299D, PRO301C, PRO301D, PRO310C, PRO310D, PRO336C, PRO336D, PRO362C, PRO362D, PRO39C, PRO39D, SER22C, SER22D, SER286C, SER286D, SER304C, SER304D, SER311C, SER311D, SER334C, SER334D, SER339C, SER339D, SER344C, SER344D, SER38C, SER38D, SER44C, SER44D, SER4C, SER4D, THR324D, THR358C, THR358D, THR360C, THR360D, THR369D, TRP2C, TRP2D, TYR278C, TYR278D, TYR343C, TYR343D, VAL20C, VAL20D, VAL359C, VAL359D