3KBO

2.14 angstrom crystal structure of putative oxidoreductase (ycdw) from salmonella typhimurium in complex with nadp

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 165
  • Norm. En. per Res.: -4.2719
• 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-C	-19.0013	-39.2877	-131.385	-189.674	66	5	0	5137	2	29	30
A-D	-90.9344	-37.4014	-545.41	-673.7458	165	21	4	19488	13	36	31
B-C	-118.1933	-38.5462	-548.119	-704.8585	165	22	3	19230	12	38	33
B-D	-16.9012	-41.0794	-76.601	-134.5816	53	9	0	3690	2	21	27

Interface residues

• A-C: ALA12C, ALA13C, ALA186A, ALA26C, ARG134A, ARG163A, ARG169A, ARG181A, ARG185A, ARG192A, ARG27C, ARG29C, ARG55C, ASN11C, ASN17C, ASN189A, ASN36C, ASN37C, ASP214A, ASP218A, ASP35C, CYS164A, GLN190A, GLN215A, GLU135A, GLU136A, GLU176A, GLU182A, GLU183A, GLU20C, GLU211A, GLU2C, GLU30C, GLY180A, GLY34C, HIS25C, ILE3C, ILE4C, LEU162A, LEU184A, LEU188A, LEU212A, LEU213A, LEU216A, LYS170A, LYS21C, LYS244A, LYS32C, PHE187A, PHE5C, PRO161A, PRO217A, PRO24C, PRO38C, SER138A, SER177A, TRP14C, TRP15C, TRP165A, TRP31C, TYR178A, VAL16C, VAL175A, VAL179A, VAL28C, VAL33C
• A-D: ALA103A, ALA103D, ALA119A, ALA119D, ALA124A, ALA124D, ALA157A, ALA157D, ALA248A, ALA248D, ALA271A, ALA271D, ALA277A, ALA277D, ALA278A, ALA278D, ARG112A, ARG112D, ARG113A, ARG113D, ARG134A, ARG134D, ARG266A, ARG266D, ARG269A, ARG269D, ARG281A, ARG281D, ASN122A, ASN122D, ASP115A, ASP115D, ASP116A, ASP116D, ASP251A, ASP251D, GLN100A, GLN100D, GLN106A, GLN106D, GLN118A, GLN118D, GLN123A, GLN123D, GLN255A, GLN255D, GLN260A, GLN260D, GLN98A, GLN98D, GLU101A, GLU101D, GLU131A, GLU131D, GLU256A, GLU256D, GLU261A, GLU261D, GLY159A, GLY159D, GLY94A, GLY94D, GLY96A, GLY96D, HIS109A, HIS109D, HIS267A, HIS267D, HIS275A, HIS275D, ILE276A, ILE276D, LEU108A, LEU108D, LEU120A, LEU120D, LEU125A, LEU125D, LEU129A, LEU129D, LEU155A, LEU155D, LEU223A, LEU223D, LEU225A, LEU225D, LEU237A, LEU237D, LEU240D, LEU250A, LEU250D, LEU258A, LEU258D, LEU264A, LEU264D, LEU97A, LEU97D, LYS121A, LYS121D, LYS127A, LYS127D, LYS150A, LYS150D, PHE111A, PHE111D, PHE114A, PHE114D, PHE160A, PHE160D, PHE253A, PHE253D, PRO128A, PRO128D, PRO130A, PRO130D, PRO257A, PRO257D, PRO259A, PRO259D, PRO263A, PRO263D, PRO268A, PRO268D, PRO274A, PRO274D, PRO282D, SER105A, SER105D, SER154A, SER154D, SER254A, SER262A, SER262D, THR133A, THR133D, THR273A, THR273D, THR280A, THR280D, TRP110A, TRP110D, TRP126A, TRP126D, TRP158A, TRP158D, TRP265A, TRP265D, TYR102A, TYR102D, TYR117A, TYR117D, TYR132A, TYR132D, VAL104A, VAL104D, VAL107A, VAL107D, VAL151A, VAL151D, VAL252A, VAL252D, VAL270A, VAL270D, VAL279A, VAL279D
• B-C: ALA103B, ALA103C, ALA119B, ALA119C, ALA124B, ALA124C, ALA157B, ALA157C, ALA248B, ALA248C, ALA271B, ALA271C, ALA277B, ALA277C, ALA278B, ALA278C, ARG112B, ARG112C, ARG113B, ARG113C, ARG134B, ARG134C, ARG266B, ARG266C, ARG269B, ARG269C, ARG281B, ARG281C, ASN122B, ASN122C, ASP115B, ASP115C, ASP116B, ASP116C, ASP251B, ASP251C, GLN100B, GLN100C, GLN106B, GLN106C, GLN118B, GLN118C, GLN123B, GLN123C, GLN255B, GLN255C, GLN260B, GLN260C, GLN98B, GLN98C, GLU101B, GLU101C, GLU131B, GLU131C, GLU256B, GLU256C, GLU261B, GLU261C, GLY159B, GLY159C, GLY94B, GLY94C, GLY96B, GLY96C, HIS109B, HIS109C, HIS267B, HIS267C, HIS275B, HIS275C, ILE276B, ILE276C, LEU108B, LEU108C, LEU120B, LEU120C, LEU125B, LEU125C, LEU129B, LEU129C, LEU155B, LEU155C, LEU223B, LEU223C, LEU225B, LEU225C, LEU237B, LEU237C, LEU240B, LEU250B, LEU250C, LEU258B, LEU258C, LEU264B, LEU264C, LEU97B, LEU97C, LYS121B, LYS121C, LYS127B, LYS127C, LYS150B, PHE111B, PHE111C, PHE114B, PHE114C, PHE160B, PHE160C, PHE253B, PHE253C, PRO128B, PRO128C, PRO130B, PRO130C, PRO257B, PRO257C, PRO259B, PRO259C, PRO263B, PRO263C, PRO268B, PRO268C, PRO274B, PRO274C, PRO282B, PRO282C, SER105B, SER105C, SER154B, SER154C, SER262B, SER262C, THR133B, THR133C, THR273B, THR273C, THR280B, THR280C, THR9B, TRP110B, TRP110C, TRP126B, TRP126C, TRP158B, TRP158C, TRP265B, TRP265C, TYR102B, TYR102C, TYR117B, TYR117C, TYR132B, TYR132C, VAL104B, VAL104C, VAL107B, VAL107C, VAL151B, VAL151C, VAL252B, VAL252C, VAL270B, VAL270C, VAL279B, VAL279C
• B-D: ALA12D, ALA13D, ALA186B, ALA26D, ARG163B, ARG169B, ARG181B, ARG185B, ARG27D, ARG29D, ASN11D, ASN17D, ASN189B, ASN36D, ASN37D, ASP214B, ASP35D, CYS164B, GLN190B, GLN215B, GLU135B, GLU136B, GLU176B, GLU182B, GLU183B, GLU20D, GLU2D, GLU30D, GLY34D, ILE4D, LEU184B, LEU188B, LEU216B, LYS170B, LYS244B, LYS32D, PHE187B, PHE5D, PRO161B, PRO217B, PRO24D, PRO38D, SER177B, TRP14D, TRP15D, TRP165B, TRP31D, TYR178B, VAL16D, VAL175B, VAL179B, VAL28D, VAL33D