2GZ3

structure of aspartate semialdehyde dehydrogenase (asadh) from streptococcus pneumoniae complexed with nadp and aspartate- semialdehyde

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 253
  • Norm. En. per Res.: -4.8937
• 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	-138.6656	-180.7531	-918.692	-1238.1107	253	28	30	34158	14	64	51
A-C	0.0	0.0	-0.4169	-0.4169	6	0	0	70	0	6	6
A-D	0.0	0.0	-8.8077	-8.8077	11	0	0	310	0	5	8
B-C	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	5	3
B-D	0.0	-53.9081	-83.4539	-137.362	65	3	1	4190	3	31	29
C-D	0.0	-11.4439	-3.7699	-15.2138	4	0	0	74	1	8	5

Interface residues

• A-B: ALA156A, ALA156B, ALA187A, ALA187B, ALA202A, ALA202B, ALA205A, ALA205B, ALA238A, ALA238B, ALA241A, ALA241B, ALA251A, ALA251B, ALA286A, ALA286B, ALA293A, ALA293B, ALA296A, ALA296B, ALA313A, ALA313B, ARG148A, ARG148B, ARG170A, ARG170B, ARG173A, ARG173B, ARG245A, ARG245B, ARG306A, ARG306B, ARG308A, ARG308B, ASN177A, ASN177B, ASN204A, ASN204B, ASN215A, ASN215B, ASN295A, ASN295B, ASP147A, ASP147B, ASP184A, ASP184B, ASP195A, ASP195B, ASP210A, ASP210B, ASP214A, ASP214B, ASP216A, ASP216B, ASP235A, ASP235B, ASP283A, ASP283B, ASP284A, ASP284B, ASP310A, ASP310B, ASP312A, ASP312B, CYS183A, CYS183B, CYS243A, CYS243B, GLN155A, GLN155B, GLN169A, GLN169B, GLN208A, GLN208B, GLN288A, GLN288B, GLN292A, GLN292B, GLU171A, GLU171B, GLU174A, GLU174B, GLU220A, GLU220B, GLU221A, GLU221B, GLU254A, GLU254B, GLU259A, GLU259B, GLU267A, GLU314A, GLU314B, GLY193A, GLY193B, GLY194A, GLY194B, GLY298B, GLY305A, GLY305B, GLY316A, GLY316B, HIS198A, HIS198B, HIS252A, HIS252B, HIS287A, HIS287B, HIS318A, HIS318B, ILE149A, ILE149B, ILE150A, ILE150B, ILE165A, ILE165B, ILE189A, ILE189B, ILE201A, ILE201B, ILE209A, ILE209B, ILE237A, ILE237B, ILE246A, ILE246B, ILE258A, ILE258B, ILE266A, ILE266B, ILE289A, ILE289B, ILE294A, ILE294B, ILE307A, ILE307B, ILE317A, ILE317B, LEU172A, LEU172B, LEU176A, LEU176B, LEU185A, LEU185B, LEU190A, LEU190B, LEU206A, LEU206B, LEU249A, LEU249B, LEU311A, LEU311B, LYS181A, LYS181B, LYS196A, LYS196B, LYS197A, LYS197B, LYS226A, LYS226B, LYS229A, LYS229B, LYS270A, LYS270B, LYS309A, LYS309B, LYS315A, LYS315B, MET222A, MET222B, MET224A, MET319A, MET319B, PHE203A, PHE203B, PHE212A, PHE212B, PRO182A, PRO182B, PRO191A, PRO191B, PRO200A, PRO200B, PRO207A, PRO207B, PRO247A, PRO247B, PRO291A, PRO291B, SER152A, SER152B, SER192A, SER192B, SER236A, SER236B, SER240A, SER240B, SER250A, SER250B, SER253A, SER253B, SER255A, SER255B, THR153A, THR153B, THR168A, THR168B, THR213A, THR213B, THR218A, THR218B, THR225A, THR225B, THR242A, THR242B, TRP320A, TRP320B, TYR154A, TYR154B, TYR199A, TYR199B, TYR217A, TYR217B, TYR219A, TYR219B, TYR257A, TYR257B, TYR290A, TYR290B, VAL151A, VAL151B, VAL157A, VAL157B, VAL175A, VAL175B, VAL211A, VAL211B, VAL239A, VAL239B, VAL244A, VAL244B, VAL248A, VAL248B, VAL256A, VAL256B, VAL285A, VAL285B, VAL297A, VAL297B, VAL321A, VAL321B, VAL322A, VAL322B
• A-C: ALA286A, ASP147C, ASP284A, GLU314C, HIS287A, LYS315C
• A-D: ARG173A, ASN101D, ASN177A, ASP103D, ASP178A, ASP235D, GLN100D, GLY179A, LEU176A, PRO102D, VAL175A
• B-C: ARG148C, LYS196B
• B-D: ALA164B, ALA16B, ALA187B, ALA351D, ALA36B, ALA38B, ALA41B, ALA87D, ARG170B, ARG173B, ARG39B, ASN101D, ASN177B, ASP103D, ASP178B, ASP214D, GLN100D, GLN169B, GLU167B, GLU171B, GLU174B, GLU188B, GLU352D, GLU356D, GLU59D, GLU63D, GLY12B, GLY163B, GLY179B, GLY42B, GLY88D, HIS186B, ILE165B, ILE189B, ILE54B, LEU166B, LEU176B, LEU353D, LEU357D, LEU45B, LYS226D, LYS230D, LYS354D, LYS358D, LYS43B, LYS46B, LYS86D, MET162B, PHE355D, PHE98D, PRO102D, PRO349D, PRO82D, SER37B, SER40B, SER44B, THR11B, THR168B, THR350D, THR60D, TYR219D, TYR83D, TYR97D, VAL104D, VAL85D
• C-D: ASP184D, GLU356C, HIS186D, LYS358C