2DNS

the crystal structure of d-amino acid amidase from ochrobactrum anthropi sv3 complexed with d-phenylalanine

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 58
  • Norm. En. per Res.: -2.6376
• 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	0.0	-20.395	-108.966	-129.361	67	2	0	4035	0	27	38
A-D	-30.2163	2.6145	-68.7683	-96.3701	58	2	2	3024	3	26	28
A-F	-2.8399	-50.3419	-99.7994	-152.9811	58	11	0	3893	2	23	29
B-C	-6.6049	37.7583	-46.2341	-15.0808	47	4	0	2214	0	17	18
B-D	-10.5654	-15.3411	-47.0832	-72.9897	49	3	0	2389	2	19	29
B-F	-11.1868	-21.4463	-110.106	-142.7391	64	3	0	3957	0	25	36
C-D	-26.0752	-30.2449	-104.659	-160.9791	66	3	0	4073	0	27	35
C-E	0.0	-35.0079	-93.6447	-128.6526	64	2	0	3714	0	30	33
D-E	0.0	-19.6402	-102.273	-121.9132	70	1	0	3915	0	29	35

Interface residues

• A-B: ALA280A, ALA289A, ARG101B, ARG107A, ARG269B, ARG298A, ARG362B, ASN276B, ASN286A, ASN290A, ASN348A, ASN360A, ASP261B, ASP266B, ASP275B, ASP321B, ASP80B, ASP82B, GLN267B, GLU148A, GLU272B, GLU303A, GLU303B, GLU322B, GLU323A, GLU323B, GLU340A, GLU356A, GLY146A, GLY262B, GLY284A, GLY291B, GLY300A, GLY325B, HIS145A, HIS292B, ILE277B, LEU270B, LEU296B, LYS141A, LYS268B, LYS274B, LYS278A, LYS278B, LYS305B, LYS345A, LYS359A, LYS359B, MET147A, PHE281A, PHE282A, PHE339A, PRO279A, PRO279B, PRO283A, SER285A, SER301A, SER301B, SER302A, SER363A, SER363B, THR287A, THR324B, TRP271B, TYR149A, TYR299A, VAL288A
• A-D: ALA17A, ALA206A, ALA207A, ALA208A, ALA26D, ARG18A, ARG198D, ARG250D, ASN212A, ASN5D, ASN6D, ASP185D, ASP209A, ASP210A, ASP222A, ASP225A, ASP251D, ASP3D, ASP53D, CYS28D, GLN38D, GLN9D, GLU211A, GLU32D, GLU33D, GLU340A, GLY182D, GLY19A, GLY226A, GLY31D, GLY52D, HIS205A, LEU25D, LEU27D, LEU36D, LEU4D, LYS184D, LYS254D, LYS44A, LYS47A, MET183D, PHE342A, PHE45A, PRO213A, PRO223A, PRO249D, PRO49D, SER2D, SER341A, SER35D, THR248D, THR34D, TYR343A, TYR37D, VAL20A, VAL224A, VAL227A, VAL253D
• A-F: ALA280F, ALA289F, ARG101A, ARG107F, ARG269A, ARG298F, ARG362A, ASN276A, ASN286F, ASN290F, ASN348F, ASP266A, ASP275A, ASP80A, ASP82A, GLN267A, GLU148F, GLU272A, GLU303A, GLU303F, GLU322A, GLU323A, GLU323F, GLU356F, GLY146F, GLY284F, GLY291A, GLY300F, GLY325A, GLY346F, HIS145F, HIS292A, ILE277A, LEU270A, LEU296A, LYS141F, LYS268A, LYS274A, LYS278A, LYS278F, LYS305A, LYS359A, MET147F, PHE281F, PHE282F, PRO279A, PRO279F, PRO283F, SER285F, SER301A, SER301F, SER302F, THR287F, THR324A, TRP271A, TYR149F, TYR299F, VAL288F
• B-C: ALA206C, ALA207C, ALA208C, ARG18C, ARG250B, ASN212C, ASN5B, ASN6B, ASP185B, ASP209C, ASP210C, ASP222C, ASP225C, ASP251B, ASP338C, ASP3B, ASP53B, CYS28B, GLN9B, GLU211C, GLU32B, GLU33B, GLU340C, GLY182B, GLY226C, GLY31B, GLY52B, HIS205C, LEU27B, LEU36B, LEU4B, LYS184B, LYS254B, LYS345C, LYS44C, PHE342C, PRO213C, PRO223C, SER2B, SER341C, SER35B, THR34B, TRP228C, TYR343C, TYR37B, VAL224C, VAL227C
• B-D: ALA179B, ALA179D, ALA258B, ARG174B, ARG174D, ARG176B, ARG176D, ARG263B, ARG263D, ARG269D, ASP171B, ASP171D, ASP266B, ASP266D, ASP76B, ASP76D, GLN75B, GLN75D, GLY166D, GLY182B, GLY182D, GLY262B, GLY77D, HIS172B, HIS172D, ILE177B, ILE177D, ILE264B, ILE264D, LEU181B, LEU181D, LEU72B, LEU72D, LEU73D, LYS167B, LYS167D, LYS184B, LYS184D, MET183B, PHE178B, PRO168D, PRO180B, PRO180D, SER175B, SER175D, THR165B, THR165D, THR78D, VAL74D
• B-F: ALA280B, ALA289B, ARG101F, ARG107B, ARG269F, ARG298B, ARG320F, ARG353B, ASN276F, ASN286B, ASN290B, ASP261F, ASP266F, ASP275F, ASP321F, ASP352B, ASP82F, GLN267F, GLU148B, GLU272F, GLU303B, GLU303F, GLU322F, GLU323B, GLU323F, GLU340B, GLU356B, GLY146B, GLY262F, GLY284B, GLY300B, GLY325F, HIS145B, HIS292F, ILE277B, ILE277F, LEU270F, LEU296F, LYS141B, LYS268F, LYS274F, LYS278B, LYS278F, LYS305F, LYS345B, LYS359B, MET147B, PHE281B, PHE282B, PHE339B, PRO279B, PRO279F, PRO283B, SER285B, SER301B, SER301F, SER302B, SER302F, THR287B, THR324F, TRP271F, TYR149B, TYR299B, VAL288B
• C-D: ALA280C, ALA289C, ARG101D, ARG107C, ARG269D, ARG298C, ARG298D, ARG362D, ASN276D, ASN286C, ASN290C, ASN348C, ASN360C, ASP261D, ASP266D, ASP275D, ASP321D, ASP80D, ASP82D, GLN267D, GLU148C, GLU272D, GLU303C, GLU303D, GLU322D, GLU323C, GLU323D, GLU340C, GLU356C, GLY146C, GLY262D, GLY284C, GLY291D, GLY300C, GLY325D, HIS145C, HIS292D, ILE277C, ILE277D, LEU270D, LEU296D, LYS141C, LYS268D, LYS274D, LYS278C, LYS278D, LYS305D, LYS345C, LYS359C, LYS359D, MET147C, PHE281C, PHE282C, PHE339C, PRO279C, PRO279D, PRO283C, SER285C, SER301C, SER302C, THR287C, THR324D, TRP271D, TYR149C, TYR299C, VAL288C
• C-E: ALA280E, ALA289E, ARG101C, ARG107E, ARG269C, ARG298C, ARG298E, ARG353E, ARG362C, ASN276C, ASN286E, ASN290E, ASP261C, ASP266C, ASP275C, ASP80C, ASP82C, GLN267C, GLU148E, GLU272C, GLU303C, GLU303E, GLU322C, GLU323C, GLU323E, GLU340E, GLU356E, GLY146E, GLY262C, GLY284E, GLY291C, GLY300E, GLY325C, HIS145E, HIS292C, ILE277C, LEU270C, LEU296C, LYS141E, LYS268C, LYS274C, LYS278C, LYS278E, LYS305C, LYS345E, LYS359C, LYS359E, MET147E, PHE260C, PHE281E, PHE282E, PHE339E, PRO279E, PRO283E, SER285E, SER301C, SER301E, SER302E, THR287E, THR324C, TRP271C, TYR149E, TYR299E, VAL288E
• D-E: ALA280D, ALA289D, ARG101E, ARG107D, ARG269E, ARG298D, ARG298E, ARG353D, ASN276E, ASN286D, ASN290D, ASN360D, ASP261E, ASP266E, ASP275E, ASP321E, ASP352D, ASP80E, ASP82E, GLN267E, GLU148D, GLU272E, GLU303E, GLU322E, GLU323D, GLU323E, GLU340D, GLU356D, GLY146D, GLY262E, GLY284D, GLY291E, GLY300D, GLY325E, HIS145D, HIS292E, ILE277D, ILE277E, LEU265E, LEU270E, LEU296E, LYS141D, LYS268E, LYS274E, LYS278D, LYS278E, LYS305E, LYS345D, LYS359D, LYS359E, MET147D, PHE281D, PHE282D, PHE339D, PRO279D, PRO279E, PRO283D, PRO30E, SER285D, SER301D, SER301E, SER302D, SER302E, SER361E, THR287D, THR324E, TRP271E, TYR149D, TYR299D, VAL288D