2YAJ

crystal structure of glycyl radical enzyme with bound substrate

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 159
  • Norm. En. per Res.: -4.015
• 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	-69.7877	-84.6145	-483.982	-638.3842	159	20	10	19237	5	49	44
A-C	-72.2038	-34.5704	-568.806	-675.5802	178	21	5	20874	3	72	66
A-D	0.0	-2.6088	-0.1807	-2.7895	6	0	0	62	0	3	2
B-C	0.0	-3.1381	-0.4523	-3.5903	7	0	0	115	0	3	3
C-D	-62.1462	-78.9175	-463.915	-604.9787	155	14	9	18907	5	49	42

Interface residues

• A-B: ALA20B, ALA280A, ALA42B, ALA51A, ALA55A, ALA56A, ALA71B, ALA73B, ALA77B, ALA79B, ALA81A, ARG105A, ARG167A, ARG288A, ARG2B, ARG61A, ASN103A, ASN11B, ASN127A, ASN156A, ASN284A, ASN38B, ASN50B, ASN60A, ASN66A, ASN69B, ASN8B, ASN99A, ASP13B, ASP298A, ASP29B, ASP42A, ASP52A, ASP55B, ASP67A, CYS14B, CYS19B, CYS45B, CYS62B, CYS6B, CYS75B, CYS80B, GLU128A, GLU15B, GLU169A, GLU170A, GLU283A, GLU296A, GLU300A, GLU43B, GLU54A, GLU65A, GLU68B, GLU94A, GLY106A, GLY148A, GLY155A, GLY165A, GLY17B, GLY24B, GLY30B, GLY58B, GLY60B, GLY64B, GLY76B, HIS85A, ILE10B, ILE158A, ILE171A, ILE28B, ILE295A, ILE301A, ILE43A, ILE90A, LEU125A, LEU12B, LEU174A, LEU18B, LEU21B, LEU292A, LEU40A, LEU47A, LEU59B, LEU65B, LEU83A, LEU91A, LYS102A, LYS163A, LYS168A, LYS16B, LYS176A, LYS179A, LYS23B, LYS287A, LYS302A, LYS39A, LYS40B, LYS44B, LYS48A, LYS56B, LYS67B, LYS7B, MET126A, MET166A, MET25B, MET53A, MET86A, PHE164A, PHE51B, PRO172A, PRO180A, PRO27B, PRO41B, PRO81B, PRO88A, PRO92A, SER159A, SER178A, SER294A, SER299A, SER78B, SER82B, SER84A, THR101A, THR177A, THR22B, THR297A, THR46A, THR50A, THR61B, THR62A, THR63B, THR74B, THR87A, THR89A, TRP281A, TRP58A, TRP63A, TRP64A, TRP70B, TYR154A, TYR285A, TYR291A, TYR305A, TYR44A, TYR45A, TYR4B, TYR57A, TYR57B, TYR72B, TYR83B, TYR93A, TYR9B, VAL104A, VAL150A, VAL157A, VAL173A, VAL175A, VAL49A
• A-C: ALA248A, ALA248C, ALA254A, ALA254C, ALA269A, ALA269C, ALA270A, ALA270C, ARG264A, ARG264C, ARG591A, ARG591C, ARG601A, ARG601C, ARG738A, ARG738C, ARG74A, ARG74C, ASN590A, ASN590C, ASN593A, ASN593C, ASN594A, ASN594C, ASN631A, ASN631C, ASN66A, ASN66C, ASP244A, ASP244C, ASP256A, ASP256C, ASP257A, ASP257C, ASP259A, ASP259C, ASP587A, ASP587C, ASP598A, ASP598C, ASP67A, ASP67C, CYS592A, CYS592C, GLN596A, GLN596C, GLU182A, GLU182C, GLU245A, GLU245C, GLU249A, GLU249C, GLU253A, GLU253C, GLU273A, GLU273C, GLU65A, GLU65C, GLU69A, GLU69C, GLU72A, GLU72C, GLY183A, GLY183C, GLY199A, GLY199C, GLY252A, GLY252C, GLY255A, GLY255C, GLY258A, GLY258C, GLY261A, GLY261C, GLY265A, GLY265C, GLY624A, GLY624C, GLY68A, GLY68C, GLY742A, GLY742C, HIS622C, ILE184A, ILE184C, ILE247A, ILE247C, ILE595A, ILE595C, ILE599A, ILE599C, ILE71A, ILE71C, LEU189A, LEU189C, LYS192A, LYS192C, LYS195A, LYS195C, LYS246A, LYS246C, LYS272A, LYS272C, LYS602A, LYS602C, LYS621A, LYS621C, LYS736A, LYS743A, LYS743C, LYS77A, LYS77C, MET196A, MET196C, MET251A, MET251C, MET262A, MET262C, MET597A, MET597C, MET605A, MET605C, MET626A, MET626C, PHE260A, PHE260C, PHE737A, PHE737C, PRO180A, PRO180C, PRO198A, PRO198C, PRO744A, PRO744C, SER185A, SER185C, SER190A, SER190C, SER194A, SER194C, SER263A, SER263C, SER739A, SER739C, THR197A, THR197C, THR625A, THR625C, TRP181A, TRP181C, TRP600A, TRP600C, TRP63A, TRP63C, TRP64A, TRP64C, TYR193A, TYR193C, TYR266A, TYR266C, TYR267A, TYR267C, TYR268A, TYR268C, TYR603A, TYR603C, TYR740A, TYR740C, TYR741A, TYR741C, VAL250A, VAL250C, VAL588A, VAL588C, VAL70A, VAL70C, VAL73A, VAL73C
• A-D: GLU182A, GLU66D, ILE184A, LYS179A, LYS67D, PRO180A
• B-C: GLU182C, GLU66B, GLY183C, ILE184C, LYS179C, LYS67B, PRO180C
• C-D: ALA20D, ALA280C, ALA42D, ALA51C, ALA55C, ALA56C, ALA71D, ALA73D, ALA77D, ALA79D, ARG105C, ARG167C, ARG288C, ARG2D, ARG61C, ASN103C, ASN11D, ASN127C, ASN156C, ASN284C, ASN38D, ASN50D, ASN60C, ASN66C, ASN69D, ASN8D, ASN99C, ASP13D, ASP298C, ASP29D, ASP42C, ASP52C, ASP55D, ASP67C, CYS14D, CYS19D, CYS386C, CYS45D, CYS62D, CYS6D, CYS75D, CYS80D, GLU128C, GLU15D, GLU169C, GLU170C, GLU296C, GLU43D, GLU54C, GLU65C, GLU66D, GLU68D, GLU94C, GLY106C, GLY148C, GLY155C, GLY165C, GLY17D, GLY24D, GLY30D, GLY58D, GLY60D, GLY64D, GLY76D, HIS85C, ILE10D, ILE158C, ILE171C, ILE28D, ILE295C, ILE301C, ILE43C, ILE90C, LEU125C, LEU12D, LEU174C, LEU18D, LEU21D, LEU292C, LEU40C, LEU47C, LEU59D, LEU65D, LEU83C, LEU91C, LYS102C, LYS168C, LYS16D, LYS176C, LYS179C, LYS23D, LYS287C, LYS302C, LYS39C, LYS40D, LYS44D, LYS48C, LYS56D, LYS67D, LYS7D, MET126C, MET166C, MET25D, MET53C, MET86C, PHE164C, PHE51D, PRO172C, PRO180C, PRO27D, PRO41D, PRO81D, PRO88C, PRO92C, SER178C, SER294C, SER78D, SER82D, SER84C, THR101C, THR177C, THR22D, THR297C, THR46C, THR50C, THR61D, THR62C, THR63D, THR74D, THR87C, THR89C, TRP281C, TRP58C, TRP63C, TRP64C, TRP70D, TYR154C, TYR285C, TYR291C, TYR305C, TYR44C, TYR45C, TYR4D, TYR57C, TYR57D, TYR72D, TYR83D, TYR93C, TYR9D, VAL104C, VAL150C, VAL157C, VAL173C, VAL175C, VAL49C