3LRJ

crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase in complex with sulfate ion.

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 150
  • Norm. En. per Res.: -3.2021
• 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	-66.0136	-21.112	-393.895	-481.0206	154	19	5	16909	4	27	25
A-C	0.0	11.2787	-0.625	10.6537	9	0	0	91	0	4	2
B-C	-14.4591	-45.0251	-38.056	-97.5402	43	16	0	2916	4	18	18
B-D	-27.0888	2.9282	-35.8286	-59.9893	32	4	0	1891	0	22	13
C-D	-66.3752	-24.8263	-389.121	-480.3225	150	16	5	16518	4	27	27

Interface residues

• A-B: ALA101A, ALA101B, ALA102A, ALA102B, ALA111A, ALA111B, ALA112A, ALA112B, ALA183A, ALA183B, ALA56A, ALA56B, ALA90A, ALA90B, ARG114A, ARG114B, ARG133A, ARG133B, ARG60A, ARG60B, ASN132A, ASN132B, ASN177A, ASN177B, ASN39A, ASN39B, ASN86A, ASN86B, ASN87A, ASN87B, ASP113A, ASP113B, ASP178A, ASP178B, ASP179A, ASP179B, ASP42A, ASP42B, CYS173A, CYS173B, CYS67A, CYS67B, GLU100A, GLU100B, GLU103A, GLU103B, GLU174A, GLU174B, GLU40A, GLU40B, GLU53A, GLU53B, GLU85A, GLU85B, GLY108A, GLY108B, GLY135A, GLY135B, GLY180A, GLY180B, GLY62A, GLY62B, GLY64A, GLY64B, GLY92A, GLY92B, GLY94A, GLY94B, HIS136A, HIS136B, HIS153A, HIS153B, HIS61A, HIS61B, ILE59A, ILE59B, ILE65A, ILE65B, ILE99A, ILE99B, LEU131A, LEU131B, LEU140A, LEU140B, LEU172A, LEU172B, LEU175A, LEU175B, LEU57A, LEU57B, LEU80A, LEU80B, MET182A, MET182B, MET55A, MET55B, MET82A, MET82B, MET83A, MET83B, PHE138A, PHE138B, PHE95A, PHE95B, PRO128A, PRO128B, PRO134A, PRO134B, PRO139A, PRO139B, PRO81A, PRO81B, SER110A, SER110B, SER129A, SER129B, SER63A, SER63B, SER89A, SER89B, THR106A, THR106B, THR107A, THR107B, THR176A, THR176B, THR181A, THR181B, THR58A, THR58B, THR88A, THR88B, THR93A, THR93B, THR96A, THR96B, THR98A, THR98B, TYR91A, TYR91B, VAL105A, VAL105B, VAL109A, VAL109B, VAL137A, VAL137B, VAL52A, VAL52B, VAL66A, VAL66B, VAL84A, VAL84B, VAL97A, VAL97B
• A-C: ALA144C, ARG141C, ARG75C, ASN86A, GLN143C, GLU72C, GLU85A, LYS76C, THR88A
• B-C: ALA126B, ALA142B, ALA144B, ARG133B, ARG141B, ARG141C, ARG75B, ARG75C, ASN86B, ASN86C, ASN87B, ASN87C, ASP73B, ASP79B, ASP79C, GLN143B, GLN77B, GLU72B, GLU72C, GLU85B, GLU85C, LEU78B, LEU80B, LEU80C, LYS127B, LYS76B, LYS76C, MET82B, MET82C, MET83C, PRO128B, PRO128C, PRO134C, PRO81B, PRO81C, SER129B, THR71B, THR88C, THR96B, THR96C, VAL84B, VAL84C, VAL97C
• B-D: ALA126B, ALA144B, ARG133D, ARG141B, ARG209B, ARG74B, ARG75B, ARG75D, ASN86D, ASP73B, ASP79D, GLN143B, GLN77B, GLU72B, GLU85D, GLY125B, GLY145B, LEU148B, LEU78B, LEU78D, LEU80D, LYS76B, LYS76D, MET82D, MET83D, PRO128D, PRO81D, THR149B, THR71B, THR96D, VAL84D, VAL97D
• C-D: ALA101C, ALA101D, ALA102C, ALA102D, ALA111C, ALA111D, ALA112C, ALA112D, ALA183C, ALA183D, ALA56C, ALA56D, ALA90C, ALA90D, ARG114C, ARG114D, ARG133C, ARG133D, ARG60C, ARG60D, ASN132C, ASN132D, ASN177C, ASN177D, ASN39D, ASN86C, ASN86D, ASN87C, ASN87D, ASP113C, ASP113D, ASP178C, ASP178D, ASP179C, ASP179D, ASP42D, CYS173C, CYS173D, CYS67C, CYS67D, GLU100C, GLU100D, GLU103C, GLU103D, GLU174C, GLU174D, GLU38D, GLU40C, GLU40D, GLU53C, GLU53D, GLU85C, GLU85D, GLY108C, GLY108D, GLY135C, GLY135D, GLY180C, GLY180D, GLY62C, GLY62D, GLY64C, GLY64D, GLY92C, GLY92D, GLY94C, GLY94D, HIS136C, HIS136D, HIS153C, HIS153D, HIS61C, HIS61D, ILE59C, ILE59D, ILE65C, ILE65D, ILE99C, ILE99D, LEU131C, LEU131D, LEU140C, LEU140D, LEU172C, LEU172D, LEU175C, LEU175D, LEU57C, LEU57D, LEU80C, LEU80D, MET182C, MET182D, MET55C, MET55D, MET82C, MET82D, MET83C, MET83D, PHE138C, PHE138D, PHE95C, PHE95D, PRO134C, PRO134D, PRO139C, PRO139D, PRO81C, PRO81D, SER110C, SER110D, SER129C, SER129D, SER63C, SER63D, SER89C, SER89D, THR106C, THR106D, THR107C, THR107D, THR176C, THR176D, THR181C, THR181D, THR58D, THR88C, THR88D, THR93C, THR93D, THR96C, THR96D, THR98C, THR98D, TYR91C, TYR91D, VAL105C, VAL105D, VAL109C, VAL109D, VAL137C, VAL137D, VAL52C, VAL52D, VAL66C, VAL66D, VAL84C, VAL84D, VAL97C, VAL97D