3OI7

structure of the structure of the h13a mutant of ykr043c in complex with sedoheptulose-1,7-bisphosphate

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 150
  • Norm. En. per Res.: -3.8453
• 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-C	-103.6987	-14.5839	-458.516	-576.7986	150	11	25	17903	0	17	19
B-D	-105.7589	-13.6239	-453.115	-572.4979	152	11	25	17777	0	18	19
C-D	-24.9539	-45.2011	-102.615	-172.77	56	7	1	4495	3	40	29

Interface residues

• A-C: ALA184A, ALA184C, ALA185A, ALA185C, ALA234A, ALA234C, ALA243A, ALA243C, ALA251A, ALA251C, ALA255A, ALA255C, ARG12A, ARG12C, ARG181A, ARG181C, ARG42A, ARG42C, ARG7A, ARG7C, ASN227A, ASN227C, ASN246A, ASN246C, ASN50A, ASN50C, ASN51A, ASN51C, ASP233A, ASP233C, ASP248C, CYS229A, CYS229C, GLN39A, GLN39C, GLN52A, GLN52C, GLU249A, GLU249C, GLU253A, GLU253C, GLU263A, GLU263C, GLU45A, GLU45C, GLY14C, GLY177A, GLY177C, GLY189A, GLY189C, GLY191A, GLY191C, GLY235A, GLY235C, GLY236A, GLY236C, GLY238A, GLY238C, GLY256A, GLY256C, GLY36C, GLY38A, GLY38C, GLY44A, GLY44C, HIS178A, HIS178C, HIS244A, HIS244C, HIS245A, HIS245C, ILE10A, ILE10C, ILE237A, ILE237C, LEU180A, LEU180C, LEU190A, LEU190C, LEU231A, LEU231C, LEU232A, LEU232C, LEU240A, LEU240C, LEU252A, LEU252C, LEU254A, LEU254C, LEU41A, LEU41C, PHE183A, PHE183C, PHE188A, PHE188C, PHE230A, PHE230C, PHE258A, PHE258C, PHE48A, PHE48C, PHE53A, PHE53C, PRO228A, PRO228C, PRO250A, PRO250C, PRO257A, PRO257C, PRO261A, PRO261C, PRO262A, PRO262C, PRO34A, PRO34C, PRO6A, PRO6C, SER241A, SER241C, SER260A, SER260C, SER46A, SER46C, THR110A, THR110C, THR43A, THR43C, THR5A, THR5C, TRP131C, TRP187A, TRP187C, TYR182A, TYR182C, TYR242A, TYR242C, TYR24A, TYR24C, TYR35A, TYR35C, VAL11A, VAL11C, VAL239A, VAL239C, VAL259A, VAL259C, VAL47A, VAL47C, VAL77A, VAL77C
• B-D: ALA184B, ALA184D, ALA185B, ALA185D, ALA234B, ALA234D, ALA243B, ALA243D, ALA251B, ALA251D, ALA255B, ALA255D, ARG12B, ARG12D, ARG181B, ARG181D, ARG42B, ARG42D, ARG7B, ARG7D, ASN227B, ASN227D, ASN246B, ASN246D, ASN50B, ASN50D, ASN51B, ASN51D, ASP233B, ASP233D, ASP248B, CYS229B, CYS229D, GLN39B, GLN39D, GLN52B, GLN52D, GLU249B, GLU249D, GLU253B, GLU253D, GLU263B, GLU263D, GLU45B, GLU45D, GLY14B, GLY177B, GLY177D, GLY189B, GLY189D, GLY191B, GLY191D, GLY235B, GLY235D, GLY236B, GLY236D, GLY238B, GLY238D, GLY256B, GLY256D, GLY36B, GLY36D, GLY38B, GLY38D, GLY44B, GLY44D, HIS178B, HIS178D, HIS244B, HIS244D, HIS245B, HIS245D, ILE10B, ILE10D, ILE237B, ILE237D, LEU180B, LEU180D, LEU190B, LEU190D, LEU231B, LEU231D, LEU232B, LEU232D, LEU240B, LEU240D, LEU252B, LEU252D, LEU254B, LEU254D, LEU41B, LEU41D, PHE183B, PHE183D, PHE188B, PHE188D, PHE230B, PHE230D, PHE258B, PHE258D, PHE48B, PHE48D, PHE53B, PHE53D, PRO228B, PRO228D, PRO250B, PRO250D, PRO257B, PRO257D, PRO261B, PRO261D, PRO262B, PRO262D, PRO34B, PRO34D, PRO6B, PRO6D, SER241B, SER241D, SER260B, SER260D, SER46B, SER46D, THR110B, THR110D, THR43B, THR43D, THR5B, THR5D, TRP131B, TRP131D, TRP187B, TRP187D, TYR182B, TYR182D, TYR242B, TYR242D, TYR24B, TYR24D, TYR35B, TYR35D, VAL11B, VAL11D, VAL239B, VAL239D, VAL259B, VAL259D, VAL47B, VAL47D, VAL77B, VAL77D
• C-D: ALA87D, ARG111C, ARG117C, ARG120C, ARG167D, ARG86D, ARG90D, ASN157D, ASP104C, ASP209D, ASP210D, ASP211D, ASP29C, ASP83D, GLN23C, GLN85D, GLU106C, GLU112C, GLU115C, GLU136C, GLU165D, GLU17C, GLU84D, GLY107C, GLY121C, GLY166D, GLY22C, HIS162D, ILE113C, ILE114C, ILE89D, LEU109C, LEU116C, LEU158D, LEU30C, LYS118C, LYS161D, LYS20C, LYS88D, PRO214D, PRO31C, SER119C, SER164D, SER21C, SER82D, THR110C, THR212D, THR25C, THR28C, TRP18C, TYR105C, TYR215D, TYR24C, TYR61D, VAL213D, VAL91D