3F8X

crystal structure of a putative delta-5-3-ketosteroid isomerase (eca2236) from pectobacterium atrosepticum scri1043 at 1.55 a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 111
  • Norm. En. per Res.: -4.4191
• 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	-77.8934	-68.8226	-343.805	-490.521	111	10	16	12673	2	21	19
A-C	0.0	17.2425	-31.2049	-13.9624	24	1	0	1328	0	8	9
A-D	0.0	-13.8136	-39.7445	-53.5581	20	0	0	1359	0	4	8
B-D	0.0	16.5252	-31.6713	-15.1462	24	1	0	1340	0	8	9
C-D	-77.4395	-50.2012	-347.555	-475.1957	111	9	16	12809	1	22	19

Interface residues

• A-B: ALA128A, ALA128B, ALA82A, ALA82B, ALA97A, ALA97B, ARG126A, ARG126B, ARG83A, ARG83B, ASN52A, ASN52B, ASN96A, ASN96B, ASN98A, ASN98B, ASP108A, ASP108B, ASP120A, ASP120B, ASP133A, ASP133B, ASP57A, ASP57B, GLU102A, GLU102B, GLU111A, GLU111B, GLU94A, GLU94B, GLY106A, GLY106B, GLY90A, GLY90B, HIS84A, HIS84B, ILE110A, ILE110B, ILE132A, ILE132B, LEU103A, LEU103B, LEU104A, LEU104B, LEU109A, LEU109B, LEU121A, LEU121B, LEU134A, LEU93A, LEU93B, LYS88A, LYS88B, PHE112A, PHE112B, PHE50A, PHE50B, PHE56A, PHE56B, PHE85A, PHE85B, PHE95A, PHE95B, PRO127A, PRO127B, PRO17A, PRO17B, PRO53A, PRO53B, PRO58A, PRO58B, SER129A, SER129B, SER135A, SER135B, SER16A, SER16B, SER51A, SER51B, SER54A, SER54B, SER86A, SER86B, SER87A, SER87B, SER89A, SER89B, THR105A, THR105B, THR119A, THR119B, THR55A, THR55B, TYR59A, TYR59B, TYR91A, TYR91B, VAL107A, VAL107B, VAL122A, VAL122B, VAL123A, VAL123B, VAL130A, VAL130B, VAL131A, VAL131B, VAL49A, VAL49B, VAL92A, VAL92B
• A-C: ALA45A, ALA97C, ASN113A, ASN78C, ASN96C, ASN98C, ASP101C, ASP47A, GLN80C, GLU102C, GLU46A, GLU77C, GLY100C, GLY61A, GLY63A, HIS60A, LEU103C, LEU104C, LYS62A, PRO64A, THR105C, TYR59A, VAL48A, VAL49A
• A-D: ASP47A, ASP47D, ASP57A, ASP57D, GLY61A, GLY61D, HIS60A, HIS60D, PHE56A, PHE56D, PRO58A, PRO58D, PRO64A, PRO64D, TYR59A, TYR59D, VAL48A, VAL48D, VAL49A, VAL49D
• B-D: ALA45D, ALA97B, ASN113D, ASN78B, ASN96B, ASN98B, ASP101B, ASP47D, GLN80B, GLU102B, GLU46D, GLU77B, GLY100B, GLY61D, GLY63D, HIS60D, LEU103B, LEU104B, LYS62D, PRO64D, THR105B, TYR59D, VAL48D, VAL49D
• C-D: ALA128C, ALA128D, ALA82C, ALA82D, ALA97C, ALA97D, ARG126C, ARG126D, ARG83C, ARG83D, ASN52C, ASN52D, ASN96C, ASN96D, ASN98C, ASN98D, ASP108C, ASP108D, ASP120C, ASP120D, ASP133C, ASP133D, ASP57C, ASP57D, GLU102C, GLU102D, GLU111C, GLU111D, GLU94C, GLU94D, GLY106C, GLY106D, GLY90C, GLY90D, HIS84C, HIS84D, ILE110C, ILE110D, ILE132C, ILE132D, LEU103C, LEU103D, LEU104C, LEU104D, LEU109C, LEU109D, LEU121C, LEU121D, LEU134C, LEU134D, LEU93C, LEU93D, LYS88C, LYS88D, PHE112C, PHE112D, PHE50C, PHE50D, PHE56C, PHE56D, PHE85C, PHE85D, PHE95C, PHE95D, PRO127C, PRO127D, PRO17C, PRO17D, PRO53C, PRO53D, PRO58C, PRO58D, SER129C, SER129D, SER135C, SER135D, SER16D, SER51C, SER51D, SER54C, SER54D, SER86C, SER86D, SER87C, SER87D, SER89C, SER89D, THR105C, THR105D, THR119C, THR119D, THR55C, THR55D, TYR59C, TYR59D, TYR91C, TYR91D, VAL107C, VAL107D, VAL122C, VAL122D, VAL123C, VAL123D, VAL130C, VAL130D, VAL131C, VAL131D, VAL49C, VAL49D, VAL92C, VAL92D